A1CB7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O49 | C48 | sing | 1.43Å | 1.42Å | |
| C48 | C46 | sing | 1.53Å | 1.54Å | |
| O50 | C45 | sing | 1.43Å | 1.46Å | |
| O60 | C55 | sing | 1.43Å | 1.41Å | |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| C46 | O47 | sing | 1.43Å | 1.47Å | |
| C45 | C44 | sing | 1.53Å | 1.48Å | |
| C58 | O59 | sing | 1.43Å | 1.42Å | |
| C58 | C56 | sing | 1.53Å | 1.55Å | |
| O47 | C42 | sing | 1.43Å | 1.46Å | |
| O57 | C56 | sing | 1.43Å | 1.47Å | |
| O57 | C52 | sing | 1.43Å | 1.48Å | |
| C55 | C56 | sing | 1.53Å | 1.53Å | |
| C55 | C54 | sing | 1.53Å | 1.48Å | |
| O51 | C44 | sing | 1.43Å | 1.44Å | |
| O51 | C52 | sing | 1.43Å | 1.42Å | |
| C44 | C43 | sing | 1.53Å | 1.48Å | |
| C39 | O40 | sing | 1.43Å | 1.42Å | |
| C39 | C37 | sing | 1.53Å | 1.55Å | |
| O61 | C54 | sing | 1.43Å | 1.40Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C53 | C54 | sing | 1.53Å | 1.48Å | |
| C53 | O62 | sing | 1.43Å | 1.39Å | |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C42 | C43 | sing | 1.53Å | 1.56Å | |
| C42 | O41 | sing | 1.43Å | 1.51Å | |
| O87 | C85 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C43 | N63 | sing | 1.47Å | 1.46Å | |
| C09 | C10 | sing | 1.53Å | 1.56Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | O38 | sing | 1.43Å | 1.47Å | |
| O86 | C85 | sing | 1.34Å | 1.27Å | |
| O41 | C36 | sing | 1.43Å | 1.36Å | |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C85 | C68 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| N63 | C64 | sing | 1.35Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| O38 | C33 | sing | 1.43Å | 1.49Å | |
| C35 | O67 | sing | 1.43Å | 1.52Å | |
| C35 | C34 | sing | 1.53Å | 1.46Å | |
| C68 | O67 | sing | 1.43Å | 1.58Å | |
| C68 | C69 | sing | 1.53Å | 1.54Å | |
| C68 | O73 | sing | 1.43Å | 1.46Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.57Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| O89 | C26 | sing | 1.43Å | 1.39Å | |
| C66 | C64 | sing | 1.51Å | 1.54Å | |
| C64 | O65 | doub | 1.21Å | 1.17Å | |
| C69 | C70 | sing | 1.53Å | 1.50Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C70 | O84 | sing | 1.43Å | 1.40Å | |
| C70 | C71 | sing | 1.53Å | 1.47Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | O32 | sing | 1.43Å | 1.41Å | |
| O73 | C72 | sing | 1.43Å | 1.51Å | |
| O19 | C18 | doub | 1.21Å | 1.18Å | |
| C34 | O88 | sing | 1.43Å | 1.38Å | |
| C72 | C71 | sing | 1.53Å | 1.52Å | |
| C72 | C74 | sing | 1.53Å | 1.56Å | |
| O77 | C76 | sing | 1.43Å | 1.41Å | |
| C17 | C18 | sing | 1.51Å | 1.57Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.47Å | |
| C75 | O78 | sing | 1.43Å | 1.41Å | |
| C75 | C74 | sing | 1.53Å | 1.60Å | |
| C75 | C76 | sing | 1.53Å | 1.54Å | |
| C27 | O32 | sing | 1.43Å | 1.40Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C71 | N80 | sing | 1.47Å | 1.48Å | |
| C18 | N20 | sing | 1.35Å | 1.50Å | |
| O90 | C25 | sing | 1.43Å | 1.39Å | |
| C25 | C24 | sing | 1.53Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| N80 | C81 | sing | 1.35Å | 1.52Å | |
| C74 | O79 | sing | 1.43Å | 1.39Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C98 | C97 | sing | 1.53Å | 1.57Å | |
| C98 | C99 | sing | 1.53Å | 1.58Å | |
| CA1 | CA2 | sing | 1.53Å | 1.56Å | |
| CA1 | CA0 | sing | 1.53Å | 1.57Å | |
| C97 | C96 | sing | 1.53Å | 1.59Å | |
| C95 | C96 | sing | 1.53Å | 1.59Å | |
| C95 | C94 | sing | 1.53Å | 1.59Å | |
| C30 | C28 | sing | 1.53Å | 1.56Å | |
| C30 | O31 | sing | 1.43Å | 1.41Å | |
| CA2 | CA3 | sing | 1.53Å | 1.55Å | |
| C28 | O29 | sing | 1.43Å | 1.46Å | |
| C81 | C83 | sing | 1.51Å | 1.55Å | |
| C81 | O82 | doub | 1.21Å | 1.19Å | |
| N20 | C21 | sing | 1.47Å | 1.48Å | |
| O29 | C24 | sing | 1.43Å | 1.44Å | |
| C24 | O23 | sing | 1.43Å | 1.47Å | |
| C99 | CA0 | sing | 1.53Å | 1.56Å | |
| O23 | C22 | sing | 1.43Å | 1.43Å | |
| C94 | C93 | sing | 1.51Å | 1.59Å | |
| CA5 | CA6 | sing | 1.53Å | 1.53Å | |
| CA5 | CA4 | sing | 1.53Å | 1.53Å | |
| C93 | C92 | doub | 1.31Å | 1.38Å | |
| CA3 | CA4 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.61Å | |
| C21 | C91 | sing | 1.53Å | 1.60Å | |
| C92 | C91 | sing | 1.51Å | 1.58Å | |
| C91 | OA7 | sing | 1.43Å | 1.40Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C43 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C45 | H56 | sing | 1.09Å | 1.10Å | |
| C46 | H57 | sing | 1.09Å | 1.10Å | |
| C48 | H58 | sing | 1.09Å | 1.10Å | |
| C48 | H59 | sing | 1.09Å | 1.10Å | |
| C52 | H60 | sing | 1.09Å | 1.10Å | |
| C53 | H61 | sing | 1.09Å | 1.10Å | |
| C54 | H62 | sing | 1.09Å | 1.10Å | |
| C55 | H63 | sing | 1.09Å | 1.10Å | |
| C56 | H64 | sing | 1.09Å | 1.10Å | |
| C58 | H65 | sing | 1.09Å | 1.10Å | |
| C58 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H67 | sing | 1.09Å | 1.10Å | |
| C66 | H68 | sing | 1.09Å | 1.10Å | |
| C66 | H69 | sing | 1.09Å | 1.10Å | |
| C69 | H70 | sing | 1.09Å | 1.10Å | |
| C69 | H71 | sing | 1.09Å | 1.10Å | |
| C70 | H72 | sing | 1.09Å | 1.10Å | |
| C71 | H73 | sing | 1.09Å | 1.10Å | |
| C72 | H74 | sing | 1.09Å | 1.10Å | |
| C74 | H75 | sing | 1.09Å | 1.10Å | |
| C75 | H76 | sing | 1.09Å | 1.10Å | |
| C76 | H77 | sing | 1.09Å | 1.10Å | |
| C76 | H78 | sing | 1.09Å | 1.10Å | |
| C83 | H79 | sing | 1.09Å | 1.10Å | |
| C83 | H80 | sing | 1.09Å | 1.10Å | |
| C83 | H81 | sing | 1.09Å | 1.10Å | |
| C91 | H82 | sing | 1.09Å | 1.10Å | |
| C92 | H83 | sing | 1.08Å | 1.08Å | |
| C93 | H84 | sing | 1.08Å | 1.08Å | |
| C94 | H85 | sing | 1.09Å | 1.10Å | |
| C94 | H86 | sing | 1.09Å | 1.10Å | |
| C95 | H87 | sing | 1.09Å | 1.10Å | |
| C95 | H88 | sing | 1.09Å | 1.10Å | |
| C96 | H89 | sing | 1.09Å | 1.10Å | |
| C96 | H90 | sing | 1.09Å | 1.10Å | |
| C97 | H91 | sing | 1.09Å | 1.10Å | |
| C97 | H92 | sing | 1.09Å | 1.10Å | |
| C98 | H93 | sing | 1.09Å | 1.10Å | |
| C98 | H94 | sing | 1.09Å | 1.10Å | |
| C99 | H95 | sing | 1.09Å | 1.10Å | |
| C99 | H96 | sing | 1.09Å | 1.10Å | |
| CA0 | H97 | sing | 1.09Å | 1.10Å | |
| CA0 | H98 | sing | 1.09Å | 1.10Å | |
| CA1 | H99 | sing | 1.09Å | 1.10Å | |
| CA1 | H100 | sing | 1.09Å | 1.10Å | |
| CA2 | H101 | sing | 1.09Å | 1.10Å | |
| CA2 | H102 | sing | 1.09Å | 1.10Å | |
| CA3 | H103 | sing | 1.09Å | 1.10Å | |
| CA3 | H104 | sing | 1.09Å | 1.10Å | |
| CA4 | H105 | sing | 1.09Å | 1.10Å | |
| CA4 | H106 | sing | 1.09Å | 1.10Å | |
| CA5 | H107 | sing | 1.09Å | 1.10Å | |
| CA5 | H108 | sing | 1.09Å | 1.10Å | |
| CA6 | H109 | sing | 1.09Å | 1.10Å | |
| CA6 | H110 | sing | 1.09Å | 1.10Å | |
| CA6 | H111 | sing | 1.09Å | 1.10Å | |
| N20 | H112 | sing | 0.97Å | 1.00Å | |
| N63 | H113 | sing | 0.97Å | 1.00Å | |
| N80 | H114 | sing | 0.97Å | 1.00Å | |
| O31 | H115 | sing | 0.97Å | 0.95Å | |
| O40 | H116 | sing | 0.97Å | 0.95Å | |
| O49 | H117 | sing | 0.97Å | 0.95Å | |
| O50 | H118 | sing | 0.97Å | 0.95Å | |
| O59 | H119 | sing | 0.97Å | 0.95Å | |
| O60 | H120 | sing | 0.97Å | 0.95Å | |
| O61 | H121 | sing | 0.97Å | 0.95Å | |
| O62 | H122 | sing | 0.97Å | 0.95Å | |
| O77 | H123 | sing | 0.97Å | 0.95Å | |
| O78 | H124 | sing | 0.97Å | 0.95Å | |
| O79 | H125 | sing | 0.97Å | 0.95Å | |
| O84 | H126 | sing | 0.97Å | 0.95Å | |
| O86 | H127 | sing | 0.97Å | 0.95Å | |
| O88 | H128 | sing | 0.97Å | 0.95Å | |
| O89 | H129 | sing | 0.97Å | 0.95Å | |
| O90 | H130 | sing | 0.97Å | 0.95Å | |
| OA7 | H131 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O49 | C48 | C46 | 106.6° | 109.5° |
| O49 | C48 | H58 | 110.2° | 109.5° |
| O49 | C48 | H59 | 110.2° | 109.4° |
| C48 | O49 | H117 | 109.5° | 114.0° |
| C48 | C46 | C45 | 109.6° | 109.5° |
| C48 | C46 | O47 | 109.0° | 109.5° |
| C48 | C46 | H57 | 108.7° | 109.4° |
| C46 | C48 | H58 | 110.2° | 109.5° |
| C46 | C48 | H59 | 110.2° | 109.4° |
| O50 | C45 | C46 | 109.5° | 109.6° |
| O50 | C45 | C44 | 109.6° | 109.6° |
| O50 | C45 | H56 | 108.5° | 109.5° |
| C45 | O50 | H118 | 109.5° | 114.1° |
| O60 | C55 | C56 | 108.2° | 109.5° |
| O60 | C55 | C54 | 108.6° | 109.6° |
| O60 | C55 | H63 | 110.8° | 109.6° |
| C55 | O60 | H120 | 109.5° | 114.0° |
| C45 | C46 | O47 | 111.0° | 109.4° |
| C46 | C45 | C44 | 113.3° | 109.2° |
| C46 | C45 | H56 | 107.5° | 109.5° |
| C45 | C46 | H57 | 108.7° | 109.5° |
| C46 | O47 | C42 | 107.9° | 114.1° |
| O47 | C46 | H57 | 109.7° | 109.5° |
| C45 | C44 | O51 | 107.1° | 109.6° |
| C45 | C44 | C43 | 113.9° | 109.0° |
| C45 | C44 | H55 | 108.2° | 109.6° |
| C44 | C45 | H56 | 108.2° | 109.5° |
| O59 | C58 | C56 | 112.1° | 109.4° |
| O59 | C58 | H65 | 108.8° | 109.5° |
| O59 | C58 | H66 | 108.8° | 109.5° |
| C58 | O59 | H119 | 109.5° | 114.0° |
| C58 | C56 | O57 | 111.5° | 109.5° |
| C58 | C56 | C55 | 110.8° | 109.5° |
| C58 | C56 | H64 | 108.8° | 109.5° |
| C56 | C58 | H65 | 108.8° | 109.5° |
| C56 | C58 | H66 | 108.8° | 109.4° |
| O47 | C42 | C43 | 112.7° | 109.4° |
| O47 | C42 | O41 | 109.6° | 109.5° |
| O47 | C42 | H53 | 107.6° | 109.5° |
| C56 | O57 | C52 | 112.9° | 114.1° |
| O57 | C56 | C55 | 107.1° | 109.5° |
| O57 | C56 | H64 | 109.7° | 109.5° |
| O57 | C52 | O51 | 110.4° | 109.4° |
| O57 | C52 | C53 | 112.6° | 109.4° |
| O57 | C52 | H60 | 108.8° | 109.4° |
| C56 | C55 | C54 | 110.3° | 109.1° |
| C56 | C55 | H63 | 109.1° | 109.5° |
| C55 | C56 | H64 | 109.0° | 109.4° |
| C55 | C54 | O61 | 108.6° | 109.6° |
| C55 | C54 | C53 | 114.7° | 109.0° |
| C55 | C54 | H62 | 107.9° | 109.6° |
| C54 | C55 | H63 | 109.8° | 109.5° |
| C44 | O51 | C52 | 111.9° | 114.0° |
| O51 | C44 | C43 | 110.4° | 109.5° |
| O51 | C44 | H55 | 108.8° | 109.6° |
| O51 | C52 | C53 | 107.1° | 109.5° |
| O51 | C52 | H60 | 109.7° | 109.5° |
| C44 | C43 | C42 | 111.0° | 109.1° |
| C44 | C43 | N63 | 106.1° | 109.5° |
| C44 | C43 | H54 | 111.1° | 109.6° |
| C43 | C44 | H55 | 108.2° | 109.5° |
| O40 | C39 | C37 | 107.7° | 109.5° |
| O40 | C39 | H51 | 109.9° | 109.5° |
| O40 | C39 | H52 | 109.9° | 109.5° |
| C39 | O40 | H116 | 109.5° | 114.0° |
| C39 | C37 | C36 | 111.2° | 109.5° |
| C39 | C37 | O38 | 109.2° | 109.5° |
| C39 | C37 | H50 | 108.5° | 109.5° |
| C37 | C39 | H51 | 109.9° | 109.5° |
| C37 | C39 | H52 | 109.9° | 109.5° |
| O61 | C54 | C53 | 108.6° | 109.5° |
| O61 | C54 | H62 | 109.0° | 109.6° |
| C54 | O61 | H121 | 109.5° | 114.0° |
| C52 | C53 | C54 | 115.3° | 109.1° |
| C52 | C53 | O62 | 108.0° | 109.5° |
| C53 | C52 | H60 | 108.1° | 109.5° |
| C52 | C53 | H61 | 107.4° | 109.5° |
| C54 | C53 | O62 | 109.0° | 109.5° |
| C54 | C53 | H61 | 107.9° | 109.6° |
| C53 | C54 | H62 | 107.9° | 109.6° |
| O62 | C53 | H61 | 109.1° | 109.6° |
| C53 | O62 | H122 | 109.5° | 114.0° |
| C12 | C11 | C10 | 112.0° | 109.4° |
| C11 | C12 | C13 | 112.2° | 109.4° |
| C12 | C11 | H22 | 108.8° | 109.5° |
| C12 | C11 | H23 | 108.8° | 109.5° |
| C11 | C12 | H24 | 108.8° | 109.5° |
| C11 | C12 | H25 | 108.8° | 109.5° |
| C11 | C10 | C09 | 112.2° | 109.5° |
| C11 | C10 | H20 | 108.8° | 109.5° |
| C11 | C10 | H21 | 108.8° | 109.5° |
| C10 | C11 | H22 | 108.8° | 109.5° |
| C10 | C11 | H23 | 108.8° | 109.4° |
| C43 | C42 | O41 | 112.9° | 109.5° |
| C42 | C43 | N63 | 106.9° | 109.6° |
| C43 | C42 | H53 | 106.5° | 109.5° |
| C42 | C43 | H54 | 110.1° | 109.5° |
| C42 | O41 | C36 | 110.2° | 114.0° |
| O41 | C42 | H53 | 107.1° | 109.4° |
| O87 | C85 | O86 | 120.1° | 120.0° |
| O87 | C85 | C68 | 120.4° | 120.0° |
| C12 | C13 | C14 | 111.9° | 109.5° |
| C13 | C12 | H24 | 108.8° | 109.5° |
| C13 | C12 | H25 | 108.8° | 109.4° |
| C12 | C13 | H26 | 108.9° | 109.5° |
| C12 | C13 | H27 | 108.9° | 109.5° |
| C43 | N63 | C64 | 125.5° | 120.0° |
| N63 | C43 | H54 | 111.5° | 109.5° |
| C43 | N63 | H113 | 117.3° | 120.0° |
| C10 | C09 | C08 | 111.1° | 109.5° |
| C10 | C09 | H18 | 109.0° | 109.5° |
| C10 | C09 | H19 | 109.0° | 109.4° |
| C09 | C10 | H20 | 108.8° | 109.5° |
| C09 | C10 | H21 | 108.8° | 109.4° |
| C09 | C08 | C07 | 113.5° | 109.5° |
| C09 | C08 | H16 | 108.5° | 109.5° |
| C09 | C08 | H17 | 108.5° | 109.4° |
| C08 | C09 | H18 | 109.0° | 109.5° |
| C08 | C09 | H19 | 109.0° | 109.5° |
| C36 | C37 | O38 | 109.8° | 109.4° |
| C37 | C36 | O41 | 109.0° | 109.6° |
| C37 | C36 | C35 | 108.3° | 109.2° |
| C37 | C36 | H49 | 109.1° | 109.6° |
| C36 | C37 | H50 | 108.6° | 109.4° |
| C37 | O38 | C33 | 110.2° | 114.1° |
| O38 | C37 | H50 | 109.5° | 109.5° |
| O86 | C85 | C68 | 119.5° | 120.0° |
| C85 | O86 | H127 | 109.5° | 116.9° |
| O41 | C36 | C35 | 109.3° | 109.5° |
| O41 | C36 | H49 | 111.6° | 109.5° |
| C36 | C35 | O67 | 109.8° | 109.5° |
| C36 | C35 | C34 | 112.9° | 109.0° |
| C36 | C35 | H48 | 108.5° | 109.6° |
| C35 | C36 | H49 | 109.5° | 109.5° |
| C85 | C68 | O67 | 110.9° | 109.5° |
| C85 | C68 | C69 | 108.4° | 109.5° |
| C85 | C68 | O73 | 107.9° | 109.5° |
| C13 | C14 | C15 | 113.6° | 109.4° |
| C14 | C13 | H26 | 108.9° | 109.5° |
| C14 | C13 | H27 | 108.9° | 109.5° |
| C13 | C14 | H28 | 108.4° | 109.5° |
| C13 | C14 | H29 | 108.4° | 109.5° |
| N63 | C64 | C66 | 124.5° | 119.9° |
| N63 | C64 | O65 | 117.4° | 120.0° |
| C64 | N63 | H113 | 117.3° | 120.0° |
| C14 | C15 | C16 | 112.2° | 109.4° |
| C15 | C14 | H28 | 108.4° | 109.5° |
| C15 | C14 | H29 | 108.4° | 109.5° |
| C14 | C15 | H30 | 108.8° | 109.5° |
| C14 | C15 | H31 | 108.8° | 109.5° |
| C08 | C07 | C06 | 111.4° | 109.5° |
| C08 | C07 | H14 | 109.0° | 109.4° |
| C08 | C07 | H15 | 109.0° | 109.5° |
| C07 | C08 | H16 | 108.4° | 109.5° |
| C07 | C08 | H17 | 108.5° | 109.5° |
| C07 | C06 | C05 | 112.2° | 109.5° |
| C07 | C06 | H12 | 108.8° | 109.5° |
| C07 | C06 | H13 | 108.8° | 109.5° |
| C06 | C07 | H14 | 109.0° | 109.5° |
| C06 | C07 | H15 | 109.0° | 109.5° |
| O38 | C33 | C34 | 112.8° | 109.4° |
| O38 | C33 | O32 | 108.9° | 109.5° |
| O38 | C33 | H46 | 108.5° | 109.5° |
| O67 | C35 | C34 | 108.0° | 109.5° |
| C35 | O67 | C68 | 109.7° | 113.9° |
| O67 | C35 | H48 | 108.3° | 109.6° |
| C35 | C34 | C33 | 113.5° | 109.2° |
| C35 | C34 | O88 | 108.0° | 109.5° |
| C35 | C34 | H47 | 109.1° | 109.6° |
| C34 | C35 | H48 | 109.2° | 109.5° |
| O67 | C68 | C69 | 108.5° | 109.5° |
| O67 | C68 | O73 | 107.6° | 109.4° |
| C69 | C68 | O73 | 113.7° | 109.4° |
| C68 | C69 | C70 | 112.9° | 109.2° |
| C68 | C69 | H70 | 108.6° | 109.5° |
| C68 | C69 | H71 | 108.6° | 109.5° |
| C68 | O73 | C72 | 112.5° | 114.1° |
| C06 | C05 | C04 | 112.2° | 109.4° |
| C06 | C05 | H10 | 108.8° | 109.5° |
| C06 | C05 | H11 | 108.8° | 109.5° |
| C05 | C06 | H12 | 108.8° | 109.4° |
| C05 | C06 | H13 | 108.8° | 109.5° |
| C15 | C16 | C17 | 114.0° | 109.5° |
| C16 | C15 | H30 | 108.8° | 109.5° |
| C16 | C15 | H31 | 108.8° | 109.5° |
| C15 | C16 | H32 | 108.3° | 109.4° |
| C15 | C16 | H33 | 108.3° | 109.5° |
| C16 | C17 | C18 | 112.6° | 109.5° |
| C17 | C16 | H32 | 108.3° | 109.5° |
| C17 | C16 | H33 | 108.3° | 109.5° |
| C16 | C17 | H34 | 108.7° | 109.5° |
| C16 | C17 | H35 | 108.7° | 109.5° |
| O89 | C26 | C27 | 108.9° | 109.6° |
| O89 | C26 | C25 | 108.4° | 109.6° |
| O89 | C26 | H41 | 110.2° | 109.6° |
| C26 | O89 | H129 | 109.5° | 114.0° |
| C66 | C64 | O65 | 118.1° | 120.0° |
| C64 | C66 | H67 | 109.5° | 109.5° |
| C64 | C66 | H68 | 109.5° | 109.5° |
| C64 | C66 | H69 | 109.5° | 109.5° |
| C69 | C70 | O84 | 109.4° | 109.5° |
| C69 | C70 | C71 | 110.0° | 109.0° |
| C70 | C69 | H70 | 108.6° | 109.5° |
| C70 | C69 | H71 | 108.6° | 109.6° |
| C69 | C70 | H72 | 108.4° | 109.5° |
| C05 | C04 | C03 | 112.1° | 109.4° |
| C05 | C04 | H8 | 108.8° | 109.5° |
| C05 | C04 | H9 | 108.8° | 109.5° |
| C04 | C05 | H10 | 108.8° | 109.5° |
| C04 | C05 | H11 | 108.8° | 109.5° |
| C04 | C03 | C02 | 111.8° | 109.5° |
| C04 | C03 | H6 | 108.9° | 109.5° |
| C04 | C03 | H7 | 108.9° | 109.5° |
| C03 | C04 | H8 | 108.8° | 109.4° |
| C03 | C04 | H9 | 108.8° | 109.5° |
| O84 | C70 | C71 | 110.6° | 109.6° |
| O84 | C70 | H72 | 109.7° | 109.5° |
| C70 | O84 | H126 | 109.5° | 114.0° |
| C70 | C71 | C72 | 105.7° | 109.1° |
| C70 | C71 | N80 | 110.1° | 109.5° |
| C71 | C70 | H72 | 108.7° | 109.6° |
| C70 | C71 | H73 | 111.3° | 109.5° |
| C34 | C33 | O32 | 109.3° | 109.5° |
| C33 | C34 | O88 | 107.9° | 109.5° |
| C34 | C33 | H46 | 107.7° | 109.5° |
| C33 | C34 | H47 | 108.0° | 109.5° |
| C33 | O32 | C27 | 109.6° | 114.0° |
| O32 | C33 | H46 | 109.5° | 109.4° |
| O73 | C72 | C71 | 113.3° | 109.4° |
| O73 | C72 | C74 | 111.2° | 109.5° |
| O73 | C72 | H74 | 106.3° | 109.5° |
| O19 | C18 | C17 | 118.9° | 120.0° |
| O19 | C18 | N20 | 117.1° | 120.0° |
| O88 | C34 | H47 | 110.3° | 109.5° |
| C34 | O88 | H128 | 109.5° | 114.0° |
| C71 | C72 | C74 | 113.4° | 109.4° |
| C72 | C71 | N80 | 107.6° | 109.5° |
| C72 | C71 | H73 | 110.6° | 109.6° |
| C71 | C72 | H74 | 106.1° | 109.5° |
| C72 | C74 | C75 | 108.3° | 109.5° |
| C72 | C74 | O79 | 108.8° | 109.5° |
| C74 | C72 | H74 | 105.8° | 109.4° |
| C72 | C74 | H75 | 109.5° | 109.5° |
| O77 | C76 | C75 | 106.6° | 109.5° |
| O77 | C76 | H77 | 110.2° | 109.5° |
| O77 | C76 | H78 | 110.2° | 109.5° |
| C76 | O77 | H123 | 109.5° | 114.0° |
| C17 | C18 | N20 | 124.1° | 120.0° |
| C18 | C17 | H34 | 108.7° | 109.4° |
| C18 | C17 | H35 | 108.6° | 109.5° |
| C27 | C26 | C25 | 111.7° | 109.0° |
| C26 | C27 | O32 | 107.5° | 109.6° |
| C26 | C27 | C28 | 114.0° | 109.2° |
| C27 | C26 | H41 | 108.4° | 109.5° |
| C26 | C27 | H42 | 108.5° | 109.5° |
| C26 | C25 | O90 | 109.8° | 109.6° |
| C26 | C25 | C24 | 113.5° | 109.2° |
| C26 | C25 | H40 | 107.5° | 109.5° |
| C25 | C26 | H41 | 109.1° | 109.5° |
| O78 | C75 | C74 | 109.2° | 109.5° |
| O78 | C75 | C76 | 109.4° | 109.4° |
| O78 | C75 | H76 | 109.5° | 109.5° |
| C75 | O78 | H124 | 109.5° | 114.1° |
| C74 | C75 | C76 | 113.9° | 109.5° |
| C75 | C74 | O79 | 109.3° | 109.5° |
| C75 | C74 | H75 | 109.0° | 109.5° |
| C74 | C75 | H76 | 107.0° | 109.5° |
| C76 | C75 | H76 | 107.7° | 109.4° |
| C75 | C76 | H77 | 110.2° | 109.4° |
| C75 | C76 | H78 | 110.2° | 109.5° |
| O32 | C27 | C28 | 108.6° | 109.6° |
| O32 | C27 | H42 | 110.1° | 109.5° |
| C27 | C28 | C30 | 111.0° | 109.4° |
| C27 | C28 | O29 | 111.4° | 109.4° |
| C28 | C27 | H42 | 108.2° | 109.5° |
| C27 | C28 | H43 | 109.1° | 109.5° |
| C71 | N80 | C81 | 121.5° | 120.0° |
| N80 | C71 | H73 | 111.2° | 109.5° |
| C71 | N80 | H114 | 119.3° | 120.0° |
| C18 | N20 | C21 | 126.7° | 120.0° |
| C18 | N20 | H112 | 116.7° | 120.1° |
| O90 | C25 | C24 | 110.0° | 109.5° |
| O90 | C25 | H40 | 108.5° | 109.5° |
| C25 | O90 | H130 | 109.5° | 114.0° |
| C25 | C24 | O29 | 107.8° | 109.4° |
| C25 | C24 | O23 | 110.3° | 109.5° |
| C25 | C24 | H39 | 110.1° | 109.5° |
| C24 | C25 | H40 | 107.5° | 109.5° |
| C03 | C02 | C01 | 112.2° | 109.5° |
| C03 | C02 | H4 | 108.8° | 109.5° |
| C03 | C02 | H5 | 108.8° | 109.5° |
| C02 | C03 | H6 | 108.9° | 109.5° |
| C02 | C03 | H7 | 108.9° | 109.5° |
| N80 | C81 | C83 | 119.5° | 120.0° |
| N80 | C81 | O82 | 120.5° | 120.0° |
| C81 | N80 | H114 | 119.2° | 120.0° |
| O79 | C74 | H75 | 111.9° | 109.5° |
| C74 | O79 | H125 | 109.5° | 114.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.8° | 109.4° |
| C01 | C02 | H5 | 108.8° | 109.5° |
| C97 | C98 | C99 | 112.5° | 109.4° |
| C98 | C97 | C96 | 110.9° | 109.5° |
| C98 | C97 | H91 | 109.1° | 109.5° |
| C98 | C97 | H92 | 109.1° | 109.5° |
| C97 | C98 | H93 | 108.7° | 109.5° |
| C97 | C98 | H94 | 108.7° | 109.4° |
| C98 | C99 | CA0 | 112.1° | 109.5° |
| C99 | C98 | H93 | 108.7° | 109.5° |
| C99 | C98 | H94 | 108.7° | 109.5° |
| C98 | C99 | H95 | 108.8° | 109.5° |
| C98 | C99 | H96 | 108.8° | 109.5° |
| CA2 | CA1 | CA0 | 111.9° | 109.5° |
| CA1 | CA2 | CA3 | 111.8° | 109.5° |
| CA2 | CA1 | H99 | 108.9° | 109.4° |
| CA2 | CA1 | H100 | 108.9° | 109.4° |
| CA1 | CA2 | H101 | 108.9° | 109.4° |
| CA1 | CA2 | H102 | 108.9° | 109.5° |
| CA1 | CA0 | C99 | 112.0° | 109.5° |
| CA1 | CA0 | H97 | 108.8° | 109.5° |
| CA1 | CA0 | H98 | 108.9° | 109.5° |
| CA0 | CA1 | H99 | 108.9° | 109.5° |
| CA0 | CA1 | H100 | 108.9° | 109.5° |
| C97 | C96 | C95 | 111.9° | 109.5° |
| C97 | C96 | H89 | 108.9° | 109.5° |
| C97 | C96 | H90 | 108.9° | 109.5° |
| C96 | C97 | H91 | 109.1° | 109.5° |
| C96 | C97 | H92 | 109.1° | 109.5° |
| C96 | C95 | C94 | 111.5° | 109.5° |
| C96 | C95 | H87 | 109.0° | 109.5° |
| C96 | C95 | H88 | 109.0° | 109.5° |
| C95 | C96 | H89 | 108.9° | 109.5° |
| C95 | C96 | H90 | 108.8° | 109.4° |
| C95 | C94 | C93 | 111.3° | 109.5° |
| C95 | C94 | H85 | 109.0° | 109.5° |
| C95 | C94 | H86 | 109.0° | 109.5° |
| C94 | C95 | H87 | 109.0° | 109.5° |
| C94 | C95 | H88 | 109.0° | 109.5° |
| C28 | C30 | O31 | 109.0° | 109.5° |
| C30 | C28 | O29 | 106.0° | 109.5° |
| C30 | C28 | H43 | 109.0° | 109.4° |
| C28 | C30 | H44 | 109.6° | 109.5° |
| C28 | C30 | H45 | 109.6° | 109.5° |
| O31 | C30 | H44 | 109.6° | 109.4° |
| O31 | C30 | H45 | 109.6° | 109.4° |
| C30 | O31 | H115 | 109.5° | 114.0° |
| CA2 | CA3 | CA4 | 111.4° | 109.4° |
| CA3 | CA2 | H101 | 108.9° | 109.5° |
| CA3 | CA2 | H102 | 108.9° | 109.5° |
| CA2 | CA3 | H103 | 109.0° | 109.4° |
| CA2 | CA3 | H104 | 109.0° | 109.5° |
| C28 | O29 | C24 | 113.0° | 114.1° |
| O29 | C28 | H43 | 110.3° | 109.5° |
| C83 | C81 | O82 | 120.0° | 120.0° |
| C81 | C83 | H79 | 109.5° | 109.4° |
| C81 | C83 | H80 | 109.5° | 109.5° |
| C81 | C83 | H81 | 109.5° | 109.5° |
| N20 | C21 | C22 | 112.3° | 109.5° |
| N20 | C21 | C91 | 113.8° | 109.5° |
| N20 | C21 | H36 | 106.0° | 109.4° |
| C21 | N20 | H112 | 116.7° | 120.0° |
| O29 | C24 | O23 | 108.0° | 109.5° |
| O29 | C24 | H39 | 110.5° | 109.5° |
| C24 | O23 | C22 | 112.3° | 114.0° |
| O23 | C24 | H39 | 110.1° | 109.5° |
| CA0 | C99 | H95 | 108.8° | 109.4° |
| CA0 | C99 | H96 | 108.8° | 109.4° |
| C99 | CA0 | H97 | 108.9° | 109.4° |
| C99 | CA0 | H98 | 108.8° | 109.5° |
| O23 | C22 | C21 | 109.7° | 109.5° |
| O23 | C22 | H37 | 109.4° | 109.4° |
| O23 | C22 | H38 | 109.4° | 109.4° |
| C94 | C93 | C92 | 120.7° | 120.0° |
| C94 | C93 | H84 | 119.7° | 119.9° |
| C93 | C94 | H85 | 109.0° | 109.5° |
| C93 | C94 | H86 | 109.0° | 109.5° |
| CA6 | CA5 | CA4 | 112.1° | 109.5° |
| CA6 | CA5 | H107 | 108.8° | 109.5° |
| CA6 | CA5 | H108 | 108.8° | 109.5° |
| CA5 | CA6 | H109 | 109.5° | 109.5° |
| CA5 | CA6 | H110 | 109.5° | 109.4° |
| CA5 | CA6 | H111 | 109.5° | 109.5° |
| CA5 | CA4 | CA3 | 112.0° | 109.4° |
| CA5 | CA4 | H105 | 108.8° | 109.5° |
| CA5 | CA4 | H106 | 108.8° | 109.5° |
| CA4 | CA5 | H107 | 108.8° | 109.5° |
| CA4 | CA5 | H108 | 108.8° | 109.5° |
| C93 | C92 | C91 | 118.5° | 120.0° |
| C93 | C92 | H83 | 120.8° | 120.0° |
| C92 | C93 | H84 | 119.6° | 120.1° |
| CA4 | CA3 | H103 | 109.0° | 109.5° |
| CA4 | CA3 | H104 | 109.0° | 109.5° |
| CA3 | CA4 | H105 | 108.9° | 109.4° |
| CA3 | CA4 | H106 | 108.9° | 109.5° |
| C22 | C21 | C91 | 114.1° | 109.5° |
| C22 | C21 | H36 | 104.7° | 109.5° |
| C21 | C22 | H37 | 109.4° | 109.5° |
| C21 | C22 | H38 | 109.4° | 109.5° |
| C21 | C91 | C92 | 112.9° | 109.5° |
| C21 | C91 | OA7 | 108.2° | 109.5° |
| C91 | C21 | H36 | 104.8° | 109.5° |
| C21 | C91 | H82 | 108.1° | 109.5° |
| C92 | C91 | OA7 | 108.5° | 109.5° |
| C92 | C91 | H82 | 108.3° | 109.5° |
| C91 | C92 | H83 | 120.7° | 120.0° |
| OA7 | C91 | H82 | 110.9° | 109.5° |
| C91 | OA7 | H131 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.4° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H18 | C09 | H19 | 109.5° | 109.5° |
| H20 | C10 | H21 | 109.4° | 109.4° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.5° | 109.5° |
| H30 | C15 | H31 | 109.4° | 109.5° |
| H32 | C16 | H33 | 109.5° | 109.5° |
| H34 | C17 | H35 | 109.5° | 109.5° |
| H37 | C22 | H38 | 109.4° | 109.5° |
| H44 | C30 | H45 | 109.5° | 109.5° |
| H51 | C39 | H52 | 109.5° | 109.5° |
| H58 | C48 | H59 | 109.4° | 109.5° |
| H65 | C58 | H66 | 109.5° | 109.5° |
| H67 | C66 | H68 | 109.5° | 109.4° |
| H67 | C66 | H69 | 109.5° | 109.5° |
| H68 | C66 | H69 | 109.4° | 109.5° |
| H70 | C69 | H71 | 109.5° | 109.5° |
| H77 | C76 | H78 | 109.5° | 109.4° |
| H79 | C83 | H80 | 109.5° | 109.4° |
| H79 | C83 | H81 | 109.5° | 109.5° |
| H80 | C83 | H81 | 109.4° | 109.5° |
| H85 | C94 | H86 | 109.5° | 109.5° |
| H87 | C95 | H88 | 109.4° | 109.5° |
| H89 | C96 | H90 | 109.5° | 109.5° |
| H91 | C97 | H92 | 109.5° | 109.5° |
| H93 | C98 | H94 | 109.5° | 109.5° |
| H95 | C99 | H96 | 109.5° | 109.5° |
| H97 | CA0 | H98 | 109.4° | 109.4° |
| H99 | CA1 | H100 | 109.5° | 109.5° |
| H101 | CA2 | H102 | 109.5° | 109.4° |
| H103 | CA3 | H104 | 109.5° | 109.5° |
| H105 | CA4 | H106 | 109.5° | 109.5° |
| H107 | CA5 | H108 | 109.5° | 109.5° |
| H109 | CA6 | H110 | 109.4° | 109.5° |
| H109 | CA6 | H111 | 109.5° | 109.5° |
| H110 | CA6 | H111 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O49 | C48 | C46 | H58 | 119.6° | 120.1° |
| O49 | C48 | C46 | H59 | 119.6° | 119.9° |
| O49 | C48 | C46 | C45 | 140.6° | 175.0° |
| O49 | C48 | C46 | O47 | 97.6° | 65.0° |
| O49 | C48 | C46 | H57 | 21.9° | 55.1° |
| O49 | C48 | H58 | H59 | 121.3° | 120.0° |
| C48 | C46 | C45 | O50 | 51.7° | 57.7° |
| C48 | C46 | C45 | O47 | 120.5° | 120.0° |
| C48 | C46 | C45 | H57 | 118.7° | 120.0° |
| C48 | C46 | O47 | H57 | 118.9° | 120.0° |
| C48 | C46 | C45 | C44 | 174.4° | 177.6° |
| C48 | C46 | O47 | C42 | 178.4° | 178.9° |
| C48 | C46 | C45 | H56 | 66.0° | 62.5° |
| C46 | C48 | H58 | H59 | 121.3° | 119.9° |
| C46 | C48 | O49 | H117 | 180.0° | 180.0° |
| O50 | C45 | C46 | C44 | 122.7° | 120.0° |
| O50 | C45 | C46 | H56 | 117.8° | 120.1° |
| O50 | C45 | C46 | O47 | 68.8° | 62.4° |
| O50 | C45 | C44 | H56 | 118.2° | 120.1° |
| O50 | C45 | C44 | O51 | 45.8° | 56.9° |
| O50 | C45 | C44 | C43 | 76.7° | 63.0° |
| O50 | C45 | C44 | H55 | 162.9° | 177.2° |
| O50 | C45 | C46 | H57 | 170.4° | 177.6° |
| O60 | C55 | C56 | C58 | 65.5° | 57.7° |
| O60 | C55 | C56 | O57 | 56.2° | 62.3° |
| O60 | C55 | C56 | C54 | 118.7° | 119.9° |
| O60 | C55 | C56 | H63 | 120.6° | 120.2° |
| O60 | C55 | C54 | H63 | 121.3° | 120.2° |
| O60 | C55 | C54 | O61 | 55.2° | 57.0° |
| O60 | C55 | C54 | C53 | 66.5° | 62.9° |
| O60 | C55 | C54 | H62 | 173.2° | 177.2° |
| O60 | C55 | C56 | H64 | 174.8° | 177.7° |
| C45 | C46 | O47 | H57 | 120.2° | 120.0° |
| C46 | C45 | C44 | H56 | 119.1° | 119.9° |
| C45 | C46 | O47 | C42 | 60.7° | 61.1° |
| C46 | C45 | C44 | O51 | 168.4° | 176.9° |
| C46 | C45 | C44 | C43 | 46.0° | 57.0° |
| C46 | C45 | C44 | H55 | 74.4° | 62.9° |
| C45 | C46 | C48 | H58 | 99.8° | 55.0° |
| C45 | C46 | C48 | H59 | 21.1° | 65.1° |
| C46 | C45 | O50 | H118 | 180.0° | 60.3° |
| O47 | C46 | C45 | C44 | 53.9° | 57.6° |
| C46 | O47 | C42 | C43 | 61.8° | 61.1° |
| C46 | O47 | C42 | O41 | 171.5° | 178.9° |
| C46 | O47 | C42 | H53 | 55.3° | 58.9° |
| O47 | C46 | C45 | H56 | 173.4° | 177.5° |
| O47 | C46 | C48 | H58 | 21.9° | 175.0° |
| O47 | C46 | C48 | H59 | 142.8° | 54.9° |
| C45 | C44 | O51 | C43 | 124.6° | 119.6° |
| C45 | C44 | O51 | H55 | 116.8° | 120.2° |
| C45 | C44 | O51 | C52 | 118.4° | 90.4° |
| C45 | C44 | C43 | H55 | 120.4° | 119.9° |
| C45 | C44 | C43 | C42 | 44.9° | 57.0° |
| C45 | C44 | C43 | N63 | 160.6° | 176.9° |
| C45 | C44 | C43 | H54 | 78.0° | 62.9° |
| C44 | C45 | C46 | H57 | 66.8° | 62.4° |
| C44 | C45 | O50 | H118 | 55.2° | 180.0° |
| O59 | C58 | C56 | H65 | 120.4° | 120.0° |
| O59 | C58 | C56 | H66 | 120.4° | 120.0° |
| O59 | C58 | C56 | O57 | 119.7° | 65.0° |
| O59 | C58 | C56 | C55 | 121.1° | 175.0° |
| O59 | C58 | C56 | H64 | 1.3° | 55.0° |
| O59 | C58 | H65 | H66 | 118.8° | 120.0° |
| C58 | C56 | O57 | C55 | 121.4° | 120.0° |
| C58 | C56 | O57 | H64 | 120.5° | 120.0° |
| C58 | C56 | O57 | C52 | 175.4° | 178.9° |
| C58 | C56 | C55 | H64 | 119.6° | 120.0° |
| C58 | C56 | C55 | C54 | 175.8° | 177.6° |
| C58 | C56 | C55 | H63 | 55.1° | 62.5° |
| C56 | C58 | H65 | H66 | 118.8° | 120.0° |
| C56 | C58 | O59 | H119 | 180.0° | 180.0° |
| O47 | C42 | C43 | C44 | 54.1° | 57.6° |
| O47 | C42 | C43 | O41 | 124.9° | 120.0° |
| O47 | C42 | C43 | H53 | 117.8° | 120.0° |
| O47 | C42 | O41 | H53 | 116.5° | 120.0° |
| O47 | C42 | C43 | N63 | 169.3° | 177.5° |
| O47 | C42 | O41 | C36 | 67.7° | 69.5° |
| O47 | C42 | C43 | H54 | 69.4° | 62.4° |
| C42 | O47 | C46 | H57 | 59.5° | 58.9° |
| O57 | C56 | C55 | H64 | 118.6° | 120.0° |
| O57 | C56 | C55 | C54 | 62.4° | 57.6° |
| C56 | O57 | C52 | O51 | 170.8° | 178.9° |
| C56 | O57 | C52 | C53 | 51.1° | 61.1° |
| C56 | O57 | C52 | H60 | 68.7° | 58.9° |
| O57 | C56 | C55 | H63 | 176.9° | 177.5° |
| O57 | C56 | C58 | H65 | 0.6° | 175.0° |
| O57 | C56 | C58 | H66 | 119.9° | 54.9° |
| C52 | O57 | C56 | C55 | 63.2° | 61.1° |
| O57 | C52 | O51 | C44 | 68.7° | 65.0° |
| O57 | C52 | O51 | C53 | 122.9° | 120.0° |
| O57 | C52 | O51 | H60 | 120.0° | 119.9° |
| O57 | C52 | C53 | H60 | 120.3° | 120.0° |
| O57 | C52 | C53 | C54 | 37.9° | 57.6° |
| O57 | C52 | C53 | O62 | 160.0° | 177.5° |
| O57 | C52 | C53 | H61 | 82.4° | 62.3° |
| C52 | O57 | C56 | H64 | 54.9° | 58.9° |
| C56 | C55 | C54 | H63 | 120.3° | 119.9° |
| C56 | C55 | C54 | O61 | 173.6° | 176.8° |
| C56 | C55 | C54 | C53 | 51.9° | 57.0° |
| C56 | C55 | C54 | H62 | 68.4° | 62.9° |
| C55 | C56 | C58 | H65 | 118.6° | 55.0° |
| C55 | C56 | C58 | H66 | 0.7° | 65.0° |
| C56 | C55 | O60 | H120 | 180.0° | 180.0° |
| C55 | C54 | O61 | C53 | 125.4° | 119.6° |
| C55 | C54 | O61 | H62 | 117.3° | 120.3° |
| C55 | C54 | C53 | C52 | 39.6° | 57.0° |
| C55 | C54 | C53 | H62 | 120.3° | 119.9° |
| C55 | C54 | C53 | O62 | 161.2° | 176.9° |
| C55 | C54 | C53 | H61 | 80.4° | 62.9° |
| C54 | C55 | C56 | H64 | 56.2° | 62.4° |
| C54 | C55 | O60 | H120 | 60.3° | 60.4° |
| C55 | C54 | O61 | H121 | 180.0° | 179.6° |
| O51 | C44 | C43 | H55 | 119.0° | 120.2° |
| C44 | O51 | C52 | C53 | 168.4° | 175.0° |
| O51 | C44 | C43 | C42 | 165.5° | 176.9° |
| O51 | C44 | C43 | N63 | 78.7° | 63.2° |
| O51 | C44 | C43 | H54 | 42.6° | 57.0° |
| O51 | C44 | C45 | H56 | 72.5° | 63.2° |
| C44 | O51 | C52 | H60 | 51.2° | 54.9° |
| C52 | O51 | C44 | C43 | 117.0° | 150.0° |
| O51 | C52 | C53 | H60 | 118.1° | 120.1° |
| O51 | C52 | C53 | C54 | 159.5° | 177.6° |
| O51 | C52 | C53 | O62 | 78.4° | 62.5° |
| C52 | O51 | C44 | H55 | 1.6° | 29.8° |
| O51 | C52 | C53 | H61 | 39.2° | 57.6° |
| C44 | C43 | C42 | N63 | 115.2° | 119.9° |
| C44 | C43 | C42 | H54 | 123.5° | 120.0° |
| C44 | C43 | C42 | O41 | 179.0° | 177.6° |
| C44 | C43 | N63 | H54 | 121.2° | 120.2° |
| C44 | C43 | N63 | C64 | 145.3° | 155.3° |
| C44 | C43 | C42 | H53 | 63.8° | 62.4° |
| C43 | C44 | C45 | H56 | 165.1° | 176.9° |
| C44 | C43 | N63 | H113 | 34.7° | 24.7° |
| O40 | C39 | C37 | H51 | 119.7° | 120.0° |
| O40 | C39 | C37 | H52 | 119.7° | 120.0° |
| O40 | C39 | C37 | C36 | 144.9° | 175.4° |
| O40 | C39 | C37 | O38 | 23.6° | 64.6° |
| O40 | C39 | C37 | H50 | 95.7° | 55.4° |
| O40 | C39 | H51 | H52 | 120.8° | 120.0° |
| C39 | C37 | C36 | O38 | 121.0° | 120.0° |
| C39 | C37 | C36 | H50 | 119.3° | 120.0° |
| C39 | C37 | O38 | H50 | 118.6° | 120.1° |
| C39 | C37 | C36 | O41 | 65.5° | 57.7° |
| C39 | C37 | C36 | C35 | 175.6° | 177.6° |
| C39 | C37 | O38 | C33 | 175.3° | 178.8° |
| C39 | C37 | C36 | H49 | 56.6° | 62.5° |
| C37 | C39 | H51 | H52 | 120.8° | 120.0° |
| C37 | C39 | O40 | H116 | 180.0° | 180.0° |
| O61 | C54 | C53 | C52 | 161.3° | 176.9° |
| O61 | C54 | C53 | H62 | 118.0° | 120.2° |
| O61 | C54 | C53 | O62 | 77.1° | 63.2° |
| O61 | C54 | C53 | H61 | 41.3° | 57.0° |
| O61 | C54 | C55 | H63 | 66.1° | 63.3° |
| C52 | C53 | C54 | O62 | 121.6° | 119.9° |
| C52 | C53 | C54 | H61 | 120.0° | 119.9° |
| C52 | C53 | O62 | H61 | 116.4° | 120.1° |
| C52 | C53 | C54 | H62 | 80.7° | 62.9° |
| C52 | C53 | O62 | H122 | 180.0° | 60.0° |
| C54 | C53 | O62 | H61 | 117.7° | 120.2° |
| C54 | C53 | C52 | H60 | 82.4° | 62.4° |
| C53 | C54 | C55 | H63 | 172.2° | 176.9° |
| C53 | C54 | O61 | H121 | 54.6° | 60.1° |
| C54 | C53 | O62 | H122 | 54.1° | 179.6° |
| O62 | C53 | C52 | H60 | 39.8° | 57.6° |
| O62 | C53 | C54 | H62 | 40.9° | 57.0° |
| C12 | C11 | C10 | H22 | 120.4° | 120.0° |
| C12 | C11 | C10 | H23 | 120.4° | 120.0° |
| C11 | C12 | C13 | H24 | 120.4° | 120.0° |
| C11 | C12 | C13 | H25 | 120.4° | 120.0° |
| C12 | C11 | C10 | C09 | 171.0° | 180.0° |
| C11 | C12 | C13 | C14 | 174.4° | 180.0° |
| C12 | C11 | C10 | H20 | 50.6° | 59.9° |
| C12 | C11 | C10 | H21 | 68.5° | 60.0° |
| C12 | C11 | H22 | H23 | 118.8° | 120.1° |
| C11 | C12 | H24 | H25 | 118.7° | 120.1° |
| C11 | C12 | C13 | H26 | 54.0° | 60.0° |
| C11 | C12 | C13 | H27 | 65.2° | 60.0° |
| C10 | C11 | C12 | C13 | 53.4° | 180.0° |
| C11 | C10 | C09 | H20 | 120.4° | 120.1° |
| C11 | C10 | C09 | H21 | 120.4° | 120.0° |
| C11 | C10 | C09 | C08 | 140.4° | 180.0° |
| C11 | C10 | C09 | H18 | 20.2° | 60.0° |
| C11 | C10 | C09 | H19 | 99.4° | 60.0° |
| C11 | C10 | H20 | H21 | 118.7° | 120.0° |
| C10 | C11 | H22 | H23 | 118.8° | 119.9° |
| C10 | C11 | C12 | H24 | 67.0° | 60.0° |
| C10 | C11 | C12 | H25 | 173.8° | 60.1° |
| C43 | C42 | O41 | H53 | 116.9° | 120.0° |
| C42 | C43 | N63 | H54 | 120.4° | 120.1° |
| C43 | C42 | O41 | C36 | 165.8° | 170.5° |
| C42 | C43 | N63 | C64 | 96.2° | 85.0° |
| C42 | C43 | C44 | H55 | 75.5° | 62.9° |
| C42 | C43 | N63 | H113 | 83.8° | 95.0° |
| O41 | C42 | C43 | N63 | 65.8° | 62.5° |
| C42 | O41 | C36 | C37 | 137.2° | 145.2° |
| C42 | O41 | C36 | C35 | 104.6° | 95.1° |
| C42 | O41 | C36 | H49 | 16.6° | 25.0° |
| O41 | C42 | C43 | H54 | 55.5° | 57.6° |
| O87 | C85 | O86 | C68 | 179.7° | 179.9° |
| O87 | C85 | C68 | O67 | 55.7° | 5.0° |
| O87 | C85 | C68 | C69 | 63.2° | 125.1° |
| O87 | C85 | C68 | O73 | 173.3° | 115.0° |
| O87 | C85 | O86 | H127 | 0.0° | 0.0° |
| C12 | C13 | C14 | H26 | 120.4° | 120.0° |
| C12 | C13 | C14 | H27 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 95.5° | 180.0° |
| C13 | C12 | C11 | H22 | 67.0° | 60.0° |
| C13 | C12 | C11 | H23 | 173.8° | 60.1° |
| C13 | C12 | H24 | H25 | 118.7° | 119.9° |
| C12 | C13 | H26 | H27 | 118.9° | 120.0° |
| C12 | C13 | C14 | H28 | 25.1° | 60.0° |
| C12 | C13 | C14 | H29 | 143.9° | 60.0° |
| C43 | N63 | C64 | H113 | 180.0° | 180.0° |
| C43 | N63 | C64 | C66 | 0.3° | 179.9° |
| C43 | N63 | C64 | O65 | 180.0° | 0.0° |
| N63 | C43 | C42 | H53 | 51.5° | 57.5° |
| N63 | C43 | C44 | H55 | 40.2° | 57.0° |
| C10 | C09 | C08 | H18 | 120.2° | 120.1° |
| C10 | C09 | C08 | H19 | 120.2° | 120.0° |
| C10 | C09 | C08 | C07 | 179.2° | 180.0° |
| C10 | C09 | C08 | H16 | 58.6° | 60.0° |
| C10 | C09 | C08 | H17 | 60.3° | 60.1° |
| C10 | C09 | H18 | H19 | 119.2° | 120.0° |
| C09 | C10 | H20 | H21 | 118.8° | 119.9° |
| C09 | C10 | C11 | H22 | 68.6° | 60.0° |
| C09 | C10 | C11 | H23 | 50.7° | 60.1° |
| C09 | C08 | C07 | H16 | 120.6° | 120.0° |
| C09 | C08 | C07 | H17 | 120.6° | 119.9° |
| C09 | C08 | C07 | C06 | 164.0° | 180.0° |
| C09 | C08 | C07 | H14 | 43.7° | 59.9° |
| C09 | C08 | C07 | H15 | 75.7° | 60.0° |
| C09 | C08 | H16 | H17 | 118.2° | 119.9° |
| C08 | C09 | H18 | H19 | 119.2° | 120.0° |
| C08 | C09 | C10 | H20 | 99.2° | 59.9° |
| C08 | C09 | C10 | H21 | 20.0° | 60.0° |
| C36 | C37 | O38 | H50 | 119.1° | 120.0° |
| C37 | C36 | O41 | C35 | 118.2° | 119.7° |
| C37 | C36 | O41 | H49 | 120.6° | 120.2° |
| C37 | C36 | C35 | H49 | 118.9° | 120.0° |
| C36 | C37 | O38 | C33 | 62.4° | 61.2° |
| C37 | C36 | C35 | O67 | 176.5° | 176.8° |
| C37 | C36 | C35 | C34 | 55.9° | 57.0° |
| C37 | C36 | C35 | H48 | 65.2° | 62.9° |
| C36 | C37 | C39 | H51 | 25.2° | 55.4° |
| C36 | C37 | C39 | H52 | 95.4° | 64.6° |
| O38 | C37 | C36 | O41 | 55.5° | 62.3° |
| O38 | C37 | C36 | C35 | 63.3° | 57.6° |
| C37 | O38 | C33 | C34 | 52.7° | 61.2° |
| C37 | O38 | C33 | O32 | 174.3° | 178.8° |
| C37 | O38 | C33 | H46 | 66.6° | 58.8° |
| O38 | C37 | C36 | H49 | 177.6° | 177.6° |
| O38 | C37 | C39 | H51 | 96.2° | 175.4° |
| O38 | C37 | C39 | H52 | 143.2° | 55.4° |
| O86 | C85 | C68 | O67 | 124.5° | 175.0° |
| O86 | C85 | C68 | C69 | 116.5° | 55.0° |
| O86 | C85 | C68 | O73 | 7.0° | 65.0° |
| O41 | C36 | C35 | H49 | 122.5° | 120.1° |
| O41 | C36 | C35 | O67 | 57.9° | 56.9° |
| O41 | C36 | C35 | C34 | 62.7° | 63.0° |
| O41 | C36 | C35 | H48 | 176.1° | 177.1° |
| O41 | C36 | C37 | H50 | 175.2° | 177.7° |
| C36 | O41 | C42 | H53 | 48.9° | 50.5° |
| C36 | C35 | O67 | C34 | 123.5° | 119.5° |
| C36 | C35 | O67 | H48 | 118.3° | 120.3° |
| C36 | C35 | C34 | H48 | 120.8° | 120.0° |
| C36 | C35 | O67 | C68 | 113.8° | 98.3° |
| C36 | C35 | C34 | C33 | 47.6° | 57.0° |
| C36 | C35 | C34 | O88 | 167.2° | 176.9° |
| C36 | C35 | C34 | H47 | 72.9° | 62.9° |
| C35 | C36 | C37 | H50 | 56.3° | 62.4° |
| C85 | C68 | O67 | C35 | 68.8° | 65.3° |
| C85 | C68 | O67 | C69 | 118.9° | 120.1° |
| C85 | C68 | O67 | O73 | 117.7° | 120.1° |
| C85 | C68 | C69 | O73 | 119.9° | 120.0° |
| C85 | C68 | C69 | C70 | 74.9° | 62.4° |
| C85 | C68 | O73 | C72 | 78.5° | 58.8° |
| C85 | C68 | C69 | H70 | 164.6° | 177.7° |
| C85 | C68 | C69 | H71 | 45.6° | 57.6° |
| C68 | C85 | O86 | H127 | 179.7° | 180.0° |
| C13 | C14 | C15 | H28 | 120.6° | 120.0° |
| C13 | C14 | C15 | H29 | 120.6° | 120.0° |
| C13 | C14 | C15 | C16 | 165.6° | 180.0° |
| C14 | C13 | C12 | H24 | 65.2° | 60.0° |
| C14 | C13 | C12 | H25 | 54.0° | 60.0° |
| C14 | C13 | H26 | H27 | 118.9° | 120.0° |
| C13 | C14 | H28 | H29 | 118.1° | 120.0° |
| C13 | C14 | C15 | H30 | 74.0° | 60.0° |
| C13 | C14 | C15 | H31 | 45.2° | 60.0° |
| N63 | C64 | C66 | O65 | 179.6° | 180.0° |
| C64 | N63 | C43 | H54 | 24.2° | 35.1° |
| N63 | C64 | C66 | H67 | 179.7° | 180.0° |
| N63 | C64 | C66 | H68 | 59.7° | 60.1° |
| N63 | C64 | C66 | H69 | 60.3° | 60.0° |
| C14 | C15 | C16 | H30 | 120.4° | 120.0° |
| C14 | C15 | C16 | H31 | 120.4° | 120.0° |
| C14 | C15 | C16 | C17 | 156.2° | 180.0° |
| C15 | C14 | C13 | H26 | 144.2° | 60.0° |
| C15 | C14 | C13 | H27 | 24.9° | 60.0° |
| C15 | C14 | H28 | H29 | 118.1° | 120.0° |
| C14 | C15 | H30 | H31 | 118.8° | 120.0° |
| C14 | C15 | C16 | H32 | 83.1° | 60.0° |
| C14 | C15 | C16 | H33 | 35.5° | 60.0° |
| C08 | C07 | C06 | H14 | 120.3° | 120.0° |
| C08 | C07 | C06 | H15 | 120.3° | 120.0° |
| C08 | C07 | C06 | C05 | 145.3° | 180.0° |
| C08 | C07 | C06 | H12 | 24.9° | 60.0° |
| C08 | C07 | C06 | H13 | 94.3° | 60.0° |
| C08 | C07 | H14 | H15 | 119.1° | 120.0° |
| C07 | C08 | H16 | H17 | 118.2° | 120.0° |
| C07 | C08 | C09 | H18 | 60.6° | 60.0° |
| C07 | C08 | C09 | H19 | 58.9° | 60.0° |
| C07 | C06 | C05 | H12 | 120.4° | 120.1° |
| C07 | C06 | C05 | H13 | 120.4° | 120.0° |
| C07 | C06 | C05 | C04 | 147.5° | 180.0° |
| C07 | C06 | C05 | H10 | 27.1° | 60.0° |
| C07 | C06 | C05 | H11 | 92.1° | 60.0° |
| C07 | C06 | H12 | H13 | 118.8° | 120.0° |
| C06 | C07 | H14 | H15 | 119.1° | 120.0° |
| C06 | C07 | C08 | H16 | 75.4° | 60.0° |
| C06 | C07 | C08 | H17 | 43.4° | 60.1° |
| O38 | C33 | C34 | C35 | 45.6° | 57.6° |
| O38 | C33 | C34 | O32 | 121.3° | 120.0° |
| O38 | C33 | C34 | H46 | 119.8° | 120.0° |
| O38 | C33 | O32 | H46 | 118.5° | 120.0° |
| O38 | C33 | C34 | O88 | 165.2° | 177.5° |
| O38 | C33 | O32 | C27 | 61.2° | 65.0° |
| O38 | C33 | C34 | H47 | 75.6° | 62.3° |
| C33 | O38 | C37 | H50 | 56.7° | 58.8° |
| O67 | C35 | C34 | H48 | 117.6° | 120.2° |
| C35 | O67 | C68 | C69 | 172.3° | 54.8° |
| C35 | O67 | C68 | O73 | 48.9° | 174.7° |
| O67 | C35 | C34 | C33 | 169.2° | 176.8° |
| O67 | C35 | C34 | O88 | 71.2° | 63.3° |
| O67 | C35 | C34 | H47 | 48.8° | 56.9° |
| O67 | C35 | C36 | H49 | 64.6° | 63.2° |
| C34 | C35 | O67 | C68 | 122.7° | 142.1° |
| C35 | C34 | C33 | O88 | 119.6° | 119.9° |
| C35 | C34 | C33 | H47 | 121.1° | 120.0° |
| C35 | C34 | C33 | O32 | 166.9° | 177.6° |
| C35 | C34 | O88 | H47 | 119.2° | 120.2° |
| C35 | C34 | C33 | H46 | 74.2° | 62.4° |
| C34 | C35 | C36 | H49 | 174.8° | 176.9° |
| C35 | C34 | O88 | H128 | 180.0° | 179.7° |
| O67 | C68 | C69 | O73 | 119.6° | 119.9° |
| O67 | C68 | C69 | C70 | 164.7° | 177.5° |
| O67 | C68 | O73 | C72 | 161.9° | 178.9° |
| C68 | O67 | C35 | H48 | 4.6° | 21.9° |
| O67 | C68 | C69 | H70 | 44.2° | 57.6° |
| O67 | C68 | C69 | H71 | 74.8° | 62.5° |
| C68 | C69 | C70 | H70 | 120.5° | 119.9° |
| C68 | C69 | C70 | H71 | 120.5° | 119.9° |
| C68 | C69 | C70 | O84 | 178.9° | 176.9° |
| C68 | C69 | C70 | C71 | 57.2° | 57.0° |
| C69 | C68 | O73 | C72 | 41.8° | 61.2° |
| C68 | C69 | H70 | H71 | 118.4° | 120.1° |
| C68 | C69 | C70 | H72 | 61.5° | 63.0° |
| O73 | C68 | C69 | C70 | 45.1° | 57.6° |
| C68 | O73 | C72 | C71 | 52.3° | 61.2° |
| C68 | O73 | C72 | C74 | 178.5° | 178.8° |
| O73 | C68 | C69 | H70 | 75.5° | 62.3° |
| O73 | C68 | C69 | H71 | 165.6° | 177.6° |
| C68 | O73 | C72 | H74 | 63.9° | 58.8° |
| C06 | C05 | C04 | H10 | 120.4° | 120.0° |
| C06 | C05 | C04 | H11 | 120.4° | 120.0° |
| C06 | C05 | C04 | C03 | 115.6° | 180.0° |
| C06 | C05 | C04 | H8 | 4.9° | 60.1° |
| C06 | C05 | C04 | H9 | 124.0° | 60.0° |
| C06 | C05 | H10 | H11 | 118.7° | 120.0° |
| C05 | C06 | H12 | H13 | 118.7° | 120.0° |
| C05 | C06 | C07 | H14 | 94.5° | 60.0° |
| C05 | C06 | C07 | H15 | 25.0° | 60.0° |
| C15 | C16 | C17 | H32 | 120.7° | 120.0° |
| C15 | C16 | C17 | H33 | 120.7° | 120.0° |
| C15 | C16 | C17 | C18 | 67.6° | 180.0° |
| C16 | C15 | C14 | H28 | 44.9° | 60.0° |
| C16 | C15 | C14 | H29 | 73.8° | 60.0° |
| C16 | C15 | H30 | H31 | 118.7° | 120.0° |
| C15 | C16 | H32 | H33 | 117.9° | 120.0° |
| C15 | C16 | C17 | H34 | 171.9° | 60.0° |
| C15 | C16 | C17 | H35 | 52.8° | 60.0° |
| C16 | C17 | C18 | O19 | 20.9° | 0.0° |
| C16 | C17 | C18 | H34 | 120.5° | 120.0° |
| C16 | C17 | C18 | H35 | 120.5° | 120.0° |
| C16 | C17 | C18 | N20 | 159.0° | 180.0° |
| C17 | C16 | C15 | H30 | 35.8° | 60.0° |
| C17 | C16 | C15 | H31 | 83.4° | 60.0° |
| C17 | C16 | H32 | H33 | 117.9° | 120.0° |
| C16 | C17 | H34 | H35 | 118.6° | 120.0° |
| O89 | C26 | C27 | C25 | 119.8° | 119.9° |
| O89 | C26 | C27 | H41 | 120.0° | 120.2° |
| O89 | C26 | C25 | H41 | 120.0° | 120.3° |
| O89 | C26 | C27 | O32 | 79.8° | 63.2° |
| O89 | C26 | C27 | C28 | 159.8° | 176.9° |
| O89 | C26 | C25 | O90 | 65.0° | 63.2° |
| O89 | C26 | C25 | C24 | 171.5° | 176.9° |
| O89 | C26 | C25 | H40 | 52.8° | 57.0° |
| O89 | C26 | C27 | H42 | 39.3° | 56.9° |
| C64 | C66 | H67 | H68 | 120.0° | 119.9° |
| C64 | C66 | H67 | H69 | 120.0° | 120.1° |
| C64 | C66 | H68 | H69 | 120.0° | 120.1° |
| C66 | C64 | N63 | H113 | 179.7° | 0.0° |
| O65 | C64 | C66 | H67 | 0.0° | 0.1° |
| O65 | C64 | C66 | H68 | 120.0° | 120.0° |
| O65 | C64 | C66 | H69 | 120.0° | 120.0° |
| O65 | C64 | N63 | H113 | 0.0° | 180.0° |
| C69 | C70 | O84 | C71 | 121.3° | 119.6° |
| C69 | C70 | O84 | H72 | 118.8° | 120.1° |
| C69 | C70 | C71 | H72 | 118.5° | 119.9° |
| C69 | C70 | C71 | C72 | 64.0° | 57.0° |
| C69 | C70 | C71 | N80 | 179.9° | 176.9° |
| C70 | C69 | H70 | H71 | 118.4° | 120.2° |
| C69 | C70 | C71 | H73 | 56.2° | 63.0° |
| C69 | C70 | O84 | H126 | 126.4° | 60.0° |
| C05 | C04 | C03 | H8 | 120.4° | 119.9° |
| C05 | C04 | C03 | H9 | 120.4° | 120.0° |
| C05 | C04 | C03 | C02 | 174.7° | 180.0° |
| C05 | C04 | C03 | H6 | 64.9° | 60.0° |
| C05 | C04 | C03 | H7 | 54.4° | 60.0° |
| C05 | C04 | H8 | H9 | 118.8° | 120.1° |
| C04 | C05 | H10 | H11 | 118.8° | 120.0° |
| C04 | C05 | C06 | H12 | 92.1° | 60.0° |
| C04 | C05 | C06 | H13 | 27.1° | 60.0° |
| C04 | C03 | C02 | H6 | 120.3° | 120.0° |
| C04 | C03 | C02 | H7 | 120.3° | 120.0° |
| C04 | C03 | C02 | C01 | 163.3° | 180.0° |
| C04 | C03 | C02 | H4 | 42.8° | 60.0° |
| C04 | C03 | C02 | H5 | 76.3° | 60.0° |
| C04 | C03 | H6 | H7 | 118.9° | 120.0° |
| C03 | C04 | H8 | H9 | 118.8° | 120.0° |
| C03 | C04 | C05 | H10 | 124.0° | 60.0° |
| C03 | C04 | C05 | H11 | 4.8° | 60.0° |
| O84 | C70 | C71 | H72 | 120.5° | 120.2° |
| O84 | C70 | C71 | C72 | 175.1° | 176.8° |
| O84 | C70 | C71 | N80 | 59.2° | 63.3° |
| O84 | C70 | C69 | H70 | 58.3° | 57.0° |
| O84 | C70 | C69 | H71 | 60.6° | 63.2° |
| O84 | C70 | C71 | H73 | 64.7° | 56.8° |
| C70 | C71 | C72 | O73 | 62.7° | 57.6° |
| C70 | C71 | C72 | N80 | 117.6° | 119.9° |
| C70 | C71 | C72 | H73 | 120.7° | 119.9° |
| C70 | C71 | C72 | C74 | 169.3° | 177.6° |
| C70 | C71 | N80 | H73 | 123.9° | 120.1° |
| C70 | C71 | N80 | C81 | 85.1° | 85.0° |
| C71 | C70 | C69 | H70 | 63.3° | 63.0° |
| C71 | C70 | C69 | H71 | 177.7° | 176.9° |
| C70 | C71 | C72 | H74 | 53.6° | 62.4° |
| C70 | C71 | N80 | H114 | 94.9° | 95.0° |
| C71 | C70 | O84 | H126 | 5.1° | 179.5° |
| C34 | C33 | O32 | H46 | 117.8° | 120.0° |
| C33 | C34 | O88 | H47 | 117.7° | 120.2° |
| C34 | C33 | O32 | C27 | 175.2° | 175.0° |
| C33 | C34 | C35 | H48 | 73.1° | 63.0° |
| C33 | C34 | O88 | H128 | 57.0° | 60.0° |
| O32 | C33 | C34 | O88 | 73.5° | 62.5° |
| C33 | O32 | C27 | C26 | 123.7° | 90.0° |
| C33 | O32 | C27 | C28 | 112.6° | 150.3° |
| C33 | O32 | C27 | H42 | 5.7° | 30.2° |
| O32 | C33 | C34 | H47 | 45.8° | 57.7° |
| O73 | C72 | C71 | C74 | 128.0° | 120.0° |
| O73 | C72 | C71 | H74 | 116.3° | 120.0° |
| O73 | C72 | C74 | H74 | 115.0° | 120.1° |
| O73 | C72 | C74 | C75 | 41.8° | 55.8° |
| O73 | C72 | C71 | N80 | 179.6° | 177.5° |
| O73 | C72 | C74 | O79 | 76.9° | 64.2° |
| O73 | C72 | C71 | H73 | 58.0° | 62.3° |
| O73 | C72 | C74 | H75 | 160.5° | 175.8° |
| O19 | C18 | C17 | N20 | 179.9° | 180.0° |
| O19 | C18 | N20 | C21 | 179.7° | 0.0° |
| O19 | C18 | C17 | H34 | 99.5° | 120.0° |
| O19 | C18 | C17 | H35 | 141.4° | 120.0° |
| O19 | C18 | N20 | H112 | 0.3° | 180.0° |
| O88 | C34 | C33 | H46 | 45.5° | 57.5° |
| O88 | C34 | C35 | H48 | 46.4° | 56.9° |
| C71 | C72 | C74 | H74 | 115.9° | 120.0° |
| C71 | C72 | C74 | C75 | 170.9° | 175.7° |
| C72 | C71 | N80 | H73 | 121.3° | 120.2° |
| C72 | C71 | N80 | C81 | 160.2° | 155.3° |
| C71 | C72 | C74 | O79 | 52.2° | 55.8° |
| C72 | C71 | C70 | H72 | 54.6° | 62.9° |
| C71 | C72 | C74 | H75 | 70.4° | 64.2° |
| C72 | C71 | N80 | H114 | 19.8° | 24.7° |
| C72 | C74 | C75 | O78 | 136.0° | 55.7° |
| C72 | C74 | C75 | O79 | 118.4° | 120.0° |
| C72 | C74 | C75 | H75 | 119.0° | 120.0° |
| C72 | C74 | C75 | C76 | 101.3° | 175.7° |
| C74 | C72 | C71 | N80 | 51.6° | 62.5° |
| C72 | C74 | O79 | H75 | 121.1° | 120.0° |
| C74 | C72 | C71 | H73 | 70.0° | 57.7° |
| C72 | C74 | C75 | H76 | 17.6° | 64.3° |
| C72 | C74 | O79 | H125 | 180.0° | 60.0° |
| O77 | C76 | C75 | O78 | 102.5° | 65.0° |
| O77 | C76 | C75 | C74 | 134.9° | 175.0° |
| O77 | C76 | C75 | H77 | 119.5° | 120.0° |
| O77 | C76 | C75 | H78 | 119.6° | 120.0° |
| O77 | C76 | C75 | H76 | 16.4° | 55.0° |
| O77 | C76 | H77 | H78 | 121.3° | 120.0° |
| C17 | C18 | N20 | C21 | 0.3° | 180.0° |
| C18 | C17 | C16 | H32 | 53.1° | 60.0° |
| C18 | C17 | C16 | H33 | 171.7° | 60.0° |
| C18 | C17 | H34 | H35 | 118.5° | 120.0° |
| C17 | C18 | N20 | H112 | 179.7° | 0.0° |
| C27 | C26 | C25 | H41 | 119.9° | 119.8° |
| C26 | C27 | O32 | C28 | 123.7° | 119.7° |
| C26 | C27 | O32 | H42 | 118.0° | 120.1° |
| C26 | C27 | C28 | H42 | 120.7° | 119.9° |
| C27 | C26 | C25 | O90 | 174.9° | 176.9° |
| C27 | C26 | C25 | C24 | 51.4° | 56.9° |
| C26 | C27 | C28 | C30 | 159.2° | 177.6° |
| C26 | C27 | C28 | O29 | 41.3° | 57.6° |
| C27 | C26 | C25 | H40 | 67.3° | 63.0° |
| C26 | C27 | C28 | H43 | 80.7° | 62.5° |
| C27 | C26 | O89 | H129 | 180.0° | 180.0° |
| C25 | C26 | C27 | O32 | 160.5° | 176.9° |
| C25 | C26 | C27 | C28 | 40.1° | 56.9° |
| C26 | C25 | O90 | C24 | 125.6° | 119.8° |
| C26 | C25 | O90 | H40 | 117.1° | 120.1° |
| C26 | C25 | C24 | H40 | 118.7° | 119.9° |
| C26 | C25 | C24 | O29 | 62.6° | 57.6° |
| C26 | C25 | C24 | O23 | 179.7° | 177.6° |
| C26 | C25 | C24 | H39 | 58.0° | 62.4° |
| C25 | C26 | C27 | H42 | 80.5° | 63.0° |
| C25 | C26 | O89 | H129 | 58.2° | 60.4° |
| C26 | C25 | O90 | H130 | 180.0° | 179.7° |
| O78 | C75 | C74 | C76 | 122.6° | 120.0° |
| O78 | C75 | C74 | H76 | 118.4° | 120.0° |
| O78 | C75 | C76 | H76 | 118.9° | 120.0° |
| O78 | C75 | C74 | O79 | 105.6° | 175.7° |
| O78 | C75 | C74 | H75 | 17.0° | 64.3° |
| O78 | C75 | C76 | H77 | 17.0° | 175.0° |
| O78 | C75 | C76 | H78 | 137.9° | 55.0° |
| C74 | C75 | C76 | H76 | 118.5° | 120.0° |
| C75 | C74 | O79 | H75 | 120.8° | 120.0° |
| C75 | C74 | C72 | H74 | 73.2° | 64.3° |
| C74 | C75 | C76 | H77 | 105.6° | 55.0° |
| C74 | C75 | C76 | H78 | 15.4° | 65.0° |
| C74 | C75 | O78 | H124 | 180.0° | 60.0° |
| C75 | C74 | O79 | H125 | 61.9° | 60.0° |
| C76 | C75 | C74 | O79 | 17.1° | 64.3° |
| C76 | C75 | C74 | H75 | 139.6° | 55.7° |
| C75 | C76 | H77 | H78 | 121.3° | 120.0° |
| C75 | C76 | O77 | H123 | 180.0° | 180.0° |
| C76 | C75 | O78 | H124 | 54.7° | 60.0° |
| O32 | C27 | C28 | H42 | 119.5° | 120.1° |
| O32 | C27 | C28 | C30 | 81.1° | 62.5° |
| O32 | C27 | C28 | O29 | 161.1° | 177.6° |
| O32 | C27 | C26 | H41 | 40.2° | 57.0° |
| O32 | C27 | C28 | H43 | 39.0° | 57.5° |
| C27 | O32 | C33 | H46 | 57.3° | 55.0° |
| C27 | C28 | C30 | O29 | 121.1° | 120.0° |
| C27 | C28 | C30 | H43 | 120.2° | 120.0° |
| C27 | C28 | C30 | O31 | 107.2° | 175.0° |
| C27 | C28 | O29 | H43 | 121.3° | 120.0° |
| C27 | C28 | O29 | C24 | 54.0° | 61.2° |
| C28 | C27 | C26 | H41 | 80.2° | 62.9° |
| C27 | C28 | C30 | H44 | 12.7° | 55.0° |
| C27 | C28 | C30 | H45 | 132.9° | 65.1° |
| C71 | N80 | C81 | H114 | 180.0° | 180.0° |
| C71 | N80 | C81 | C83 | 179.9° | 180.0° |
| C71 | N80 | C81 | O82 | 0.7° | 0.1° |
| N80 | C71 | C70 | H72 | 61.4° | 57.0° |
| N80 | C71 | C72 | H74 | 64.0° | 57.5° |
| C18 | N20 | C21 | H112 | 180.0° | 180.0° |
| C18 | N20 | C21 | C22 | 69.7° | 155.0° |
| C18 | N20 | C21 | C91 | 61.9° | 85.0° |
| N20 | C18 | C17 | H34 | 80.5° | 60.0° |
| N20 | C18 | C17 | H35 | 38.5° | 60.0° |
| C18 | N20 | C21 | H36 | 176.5° | 35.0° |
| O90 | C25 | C24 | H40 | 117.9° | 120.1° |
| O90 | C25 | C24 | O29 | 174.0° | 177.6° |
| O90 | C25 | C24 | O23 | 56.3° | 62.4° |
| O90 | C25 | C24 | H39 | 65.4° | 57.6° |
| O90 | C25 | C26 | H41 | 55.1° | 57.1° |
| C25 | C24 | O29 | C28 | 63.9° | 61.2° |
| C25 | C24 | O29 | O23 | 119.2° | 120.0° |
| C25 | C24 | O29 | H39 | 120.4° | 120.0° |
| C25 | C24 | O23 | H39 | 121.7° | 120.0° |
| C25 | C24 | O23 | C22 | 150.0° | 175.0° |
| C24 | C25 | C26 | H41 | 68.5° | 62.9° |
| C24 | C25 | O90 | H130 | 54.4° | 60.0° |
| C03 | C02 | C01 | H4 | 120.4° | 120.1° |
| C03 | C02 | C01 | H5 | 120.4° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 118.8° | 120.0° |
| C02 | C03 | H6 | H7 | 119.0° | 120.0° |
| C02 | C03 | C04 | H8 | 54.3° | 60.0° |
| C02 | C03 | C04 | H9 | 64.9° | 60.0° |
| N80 | C81 | C83 | O82 | 179.4° | 179.9° |
| C81 | N80 | C71 | H73 | 38.8° | 35.1° |
| N80 | C81 | C83 | H79 | 179.4° | 180.0° |
| N80 | C81 | C83 | H80 | 59.4° | 60.0° |
| N80 | C81 | C83 | H81 | 60.5° | 60.0° |
| O79 | C74 | C72 | H74 | 168.1° | 175.7° |
| O79 | C74 | C75 | H76 | 136.0° | 55.7° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.8° | 120.0° |
| C01 | C02 | C03 | H6 | 76.4° | 60.0° |
| C01 | C02 | C03 | H7 | 42.9° | 60.0° |
| C97 | C98 | C99 | H93 | 120.5° | 120.0° |
| C97 | C98 | C99 | H94 | 120.4° | 119.9° |
| C98 | C97 | C96 | H91 | 120.2° | 120.0° |
| C98 | C97 | C96 | H92 | 120.2° | 120.0° |
| C98 | C97 | C96 | C95 | 26.7° | 180.0° |
| C97 | C98 | C99 | CA0 | 48.2° | 180.0° |
| C98 | C97 | C96 | H89 | 147.0° | 60.0° |
| C98 | C97 | C96 | H90 | 93.7° | 60.1° |
| C98 | C97 | H91 | H92 | 119.3° | 120.0° |
| C97 | C98 | H93 | H94 | 118.6° | 120.0° |
| C97 | C98 | C99 | H95 | 168.6° | 60.0° |
| C97 | C98 | C99 | H96 | 72.2° | 60.1° |
| C98 | C99 | CA0 | CA1 | 71.4° | 179.9° |
| C99 | C98 | C97 | C96 | 105.9° | 180.0° |
| C98 | C99 | CA0 | H95 | 120.4° | 120.0° |
| C98 | C99 | CA0 | H96 | 120.4° | 120.0° |
| C99 | C98 | C97 | H91 | 133.9° | 60.0° |
| C99 | C98 | C97 | H92 | 14.3° | 60.1° |
| C99 | C98 | H93 | H94 | 118.6° | 120.0° |
| C98 | C99 | H95 | H96 | 118.8° | 120.1° |
| C98 | C99 | CA0 | H97 | 48.9° | 60.0° |
| C98 | C99 | CA0 | H98 | 168.2° | 60.0° |
| CA2 | CA1 | CA0 | H99 | 120.3° | 120.0° |
| CA2 | CA1 | CA0 | H100 | 120.4° | 120.0° |
| CA1 | CA2 | CA3 | H101 | 120.3° | 120.0° |
| CA1 | CA2 | CA3 | H102 | 120.4° | 120.0° |
| CA2 | CA1 | CA0 | C99 | 107.7° | 180.0° |
| CA1 | CA2 | CA3 | CA4 | 168.2° | 180.0° |
| CA2 | CA1 | CA0 | H97 | 131.9° | 60.0° |
| CA2 | CA1 | CA0 | H98 | 12.7° | 59.9° |
| CA2 | CA1 | H99 | H100 | 118.9° | 119.9° |
| CA1 | CA2 | H101 | H102 | 118.9° | 119.9° |
| CA1 | CA2 | CA3 | H103 | 47.9° | 60.0° |
| CA1 | CA2 | CA3 | H104 | 71.6° | 60.0° |
| CA0 | CA1 | CA2 | CA3 | 71.7° | 180.0° |
| CA1 | CA0 | C99 | H97 | 120.4° | 120.0° |
| CA1 | CA0 | C99 | H98 | 120.4° | 120.1° |
| CA1 | CA0 | C99 | H95 | 48.9° | 60.0° |
| CA1 | CA0 | C99 | H96 | 168.2° | 60.0° |
| CA1 | CA0 | H97 | H98 | 118.9° | 120.0° |
| CA0 | CA1 | H99 | H100 | 118.9° | 120.1° |
| CA0 | CA1 | CA2 | H101 | 168.0° | 60.0° |
| CA0 | CA1 | CA2 | H102 | 48.7° | 59.9° |
| C97 | C96 | C95 | H89 | 120.4° | 120.0° |
| C97 | C96 | C95 | H90 | 120.4° | 120.0° |
| C97 | C96 | C95 | C94 | 149.4° | 180.0° |
| C97 | C96 | C95 | H87 | 29.1° | 60.0° |
| C97 | C96 | C95 | H88 | 90.2° | 60.0° |
| C97 | C96 | H89 | H90 | 118.9° | 120.0° |
| C96 | C97 | H91 | H92 | 119.4° | 120.0° |
| C96 | C97 | C98 | H93 | 133.6° | 60.0° |
| C96 | C97 | C98 | H94 | 14.5° | 60.0° |
| C96 | C95 | C94 | H87 | 120.3° | 120.0° |
| C96 | C95 | C94 | H88 | 120.3° | 120.0° |
| C96 | C95 | C94 | C93 | 64.1° | 180.0° |
| C96 | C95 | C94 | H85 | 56.2° | 60.0° |
| C96 | C95 | C94 | H86 | 175.7° | 60.0° |
| C96 | C95 | H87 | H88 | 119.1° | 120.0° |
| C95 | C96 | H89 | H90 | 118.9° | 120.0° |
| C95 | C96 | C97 | H91 | 93.5° | 60.0° |
| C95 | C96 | C97 | H92 | 146.8° | 60.0° |
| C95 | C94 | C93 | H85 | 120.3° | 120.0° |
| C95 | C94 | C93 | H86 | 120.3° | 120.0° |
| C95 | C94 | C93 | C92 | 163.9° | 125.0° |
| C95 | C94 | C93 | H84 | 16.0° | 55.0° |
| C95 | C94 | H85 | H86 | 119.2° | 120.0° |
| C94 | C95 | H87 | H88 | 119.1° | 120.0° |
| C94 | C95 | C96 | H89 | 90.2° | 60.0° |
| C94 | C95 | C96 | H90 | 29.1° | 60.0° |
| C28 | C30 | O31 | H44 | 119.9° | 120.0° |
| C28 | C30 | O31 | H45 | 119.9° | 120.0° |
| C30 | C28 | O29 | H43 | 117.9° | 120.0° |
| C30 | C28 | O29 | C24 | 174.8° | 178.9° |
| C30 | C28 | C27 | H42 | 38.4° | 57.7° |
| C28 | C30 | H44 | H45 | 120.2° | 120.1° |
| C28 | C30 | O31 | H115 | 180.0° | 179.9° |
| O31 | C30 | C28 | O29 | 131.7° | 65.1° |
| O31 | C30 | C28 | H43 | 13.0° | 55.0° |
| O31 | C30 | H44 | H45 | 120.2° | 119.9° |
| CA2 | CA3 | CA4 | CA5 | 85.8° | 180.0° |
| CA2 | CA3 | CA4 | H103 | 120.3° | 119.9° |
| CA2 | CA3 | CA4 | H104 | 120.3° | 120.0° |
| CA3 | CA2 | CA1 | H99 | 168.0° | 60.0° |
| CA3 | CA2 | CA1 | H100 | 48.7° | 60.0° |
| CA3 | CA2 | H101 | H102 | 118.9° | 120.0° |
| CA2 | CA3 | H103 | H104 | 119.1° | 120.0° |
| CA2 | CA3 | CA4 | H105 | 153.8° | 60.1° |
| CA2 | CA3 | CA4 | H106 | 34.6° | 60.0° |
| C28 | O29 | C24 | O23 | 176.9° | 178.8° |
| C28 | O29 | C24 | H39 | 56.5° | 58.8° |
| O29 | C28 | C27 | H42 | 79.4° | 62.3° |
| O29 | C28 | C30 | H44 | 108.4° | 175.0° |
| O29 | C28 | C30 | H45 | 11.8° | 54.9° |
| C81 | C83 | H79 | H80 | 120.0° | 120.0° |
| C81 | C83 | H79 | H81 | 120.0° | 120.0° |
| C81 | C83 | H80 | H81 | 120.0° | 120.1° |
| C83 | C81 | N80 | H114 | 0.1° | 0.0° |
| O82 | C81 | C83 | H79 | 0.0° | 0.0° |
| O82 | C81 | C83 | H80 | 120.0° | 119.9° |
| O82 | C81 | C83 | H81 | 120.0° | 120.0° |
| O82 | C81 | N80 | H114 | 179.4° | 179.9° |
| N20 | C21 | C22 | O23 | 26.8° | 65.0° |
| N20 | C21 | C22 | C91 | 131.4° | 120.0° |
| N20 | C21 | C22 | H36 | 114.6° | 120.0° |
| N20 | C21 | C91 | H36 | 115.4° | 119.9° |
| N20 | C21 | C91 | C92 | 45.8° | 60.0° |
| N20 | C21 | C91 | OA7 | 165.9° | 180.0° |
| N20 | C21 | C22 | H37 | 146.9° | 175.0° |
| N20 | C21 | C22 | H38 | 93.2° | 55.0° |
| N20 | C21 | C91 | H82 | 74.0° | 60.0° |
| O29 | C24 | O23 | H39 | 120.7° | 120.0° |
| O29 | C24 | O23 | C22 | 32.4° | 65.0° |
| O29 | C24 | C25 | H40 | 56.1° | 62.3° |
| C24 | O29 | C28 | H43 | 67.3° | 58.9° |
| C24 | O23 | C22 | C21 | 167.7° | 180.0° |
| C24 | O23 | C22 | H37 | 72.2° | 60.0° |
| C24 | O23 | C22 | H38 | 47.7° | 60.0° |
| O23 | C24 | C25 | H40 | 61.6° | 57.7° |
| CA0 | C99 | C98 | H93 | 72.3° | 60.0° |
| CA0 | C99 | C98 | H94 | 168.6° | 60.1° |
| CA0 | C99 | H95 | H96 | 118.8° | 119.9° |
| C99 | CA0 | H97 | H98 | 118.8° | 120.0° |
| C99 | CA0 | CA1 | H99 | 12.6° | 60.0° |
| C99 | CA0 | CA1 | H100 | 131.9° | 60.0° |
| O23 | C22 | C21 | H37 | 120.0° | 120.0° |
| O23 | C22 | C21 | H38 | 120.0° | 120.0° |
| O23 | C22 | C21 | C91 | 158.3° | 55.0° |
| O23 | C22 | C21 | H36 | 87.7° | 175.1° |
| O23 | C22 | H37 | H38 | 119.9° | 119.9° |
| C22 | O23 | C24 | H39 | 88.3° | 55.0° |
| C94 | C93 | C92 | H84 | 180.0° | 180.0° |
| C94 | C93 | C92 | C91 | 179.8° | 180.0° |
| C94 | C93 | C92 | H83 | 0.2° | 0.0° |
| C93 | C94 | H85 | H86 | 119.2° | 120.0° |
| C93 | C94 | C95 | H87 | 175.6° | 60.0° |
| C93 | C94 | C95 | H88 | 56.3° | 60.0° |
| CA6 | CA5 | CA4 | H107 | 120.4° | 120.0° |
| CA6 | CA5 | CA4 | H108 | 120.4° | 120.0° |
| CA6 | CA5 | CA4 | CA3 | 102.8° | 180.0° |
| CA6 | CA5 | CA4 | H105 | 17.6° | 60.0° |
| CA6 | CA5 | CA4 | H106 | 136.8° | 60.0° |
| CA6 | CA5 | H107 | H108 | 118.8° | 120.0° |
| CA5 | CA6 | H109 | H110 | 120.0° | 120.0° |
| CA5 | CA6 | H109 | H111 | 120.0° | 120.0° |
| CA5 | CA6 | H110 | H111 | 120.0° | 120.0° |
| CA5 | CA4 | CA3 | H105 | 120.4° | 119.9° |
| CA5 | CA4 | CA3 | H106 | 120.4° | 120.0° |
| CA5 | CA4 | CA3 | H103 | 153.9° | 60.1° |
| CA5 | CA4 | CA3 | H104 | 34.5° | 60.0° |
| CA5 | CA4 | H105 | H106 | 118.8° | 120.0° |
| CA4 | CA5 | H107 | H108 | 118.8° | 120.0° |
| CA4 | CA5 | CA6 | H109 | 180.0° | 60.0° |
| CA4 | CA5 | CA6 | H110 | 60.0° | 60.0° |
| CA4 | CA5 | CA6 | H111 | 60.0° | 180.0° |
| C93 | C92 | C91 | C21 | 103.4° | 120.0° |
| C93 | C92 | C91 | H83 | 180.0° | 180.0° |
| C93 | C92 | C91 | OA7 | 136.7° | 120.0° |
| C93 | C92 | C91 | H82 | 16.3° | 0.0° |
| C92 | C93 | C94 | H85 | 43.7° | 115.0° |
| C92 | C93 | C94 | H86 | 75.8° | 5.0° |
| CA4 | CA3 | CA2 | H101 | 71.5° | 60.0° |
| CA4 | CA3 | CA2 | H102 | 47.8° | 60.0° |
| CA4 | CA3 | H103 | H104 | 119.1° | 120.1° |
| CA3 | CA4 | H105 | H106 | 118.9° | 120.0° |
| CA3 | CA4 | CA5 | H107 | 136.8° | 60.0° |
| CA3 | CA4 | CA5 | H108 | 17.6° | 60.0° |
| C22 | C21 | C91 | H36 | 114.0° | 120.0° |
| C22 | C21 | C91 | C92 | 176.5° | 180.0° |
| C22 | C21 | C91 | OA7 | 63.5° | 60.0° |
| C21 | C22 | H37 | H38 | 119.9° | 120.1° |
| C22 | C21 | C91 | H82 | 56.7° | 60.0° |
| C22 | C21 | N20 | H112 | 110.3° | 25.0° |
| C21 | C91 | C92 | OA7 | 119.9° | 120.0° |
| C21 | C91 | C92 | H82 | 119.7° | 120.0° |
| C21 | C91 | OA7 | H82 | 118.4° | 120.0° |
| C91 | C21 | C22 | H37 | 81.7° | 65.0° |
| C91 | C21 | C22 | H38 | 38.2° | 175.0° |
| C21 | C91 | C92 | H83 | 76.6° | 60.0° |
| C91 | C21 | N20 | H112 | 118.2° | 95.0° |
| C21 | C91 | OA7 | H131 | 180.0° | 60.0° |
| C92 | C91 | OA7 | H82 | 118.8° | 120.0° |
| C92 | C91 | C21 | H36 | 69.6° | 60.0° |
| C91 | C92 | C93 | H84 | 0.2° | 0.0° |
| C92 | C91 | OA7 | H131 | 57.2° | 180.0° |
| OA7 | C91 | C21 | H36 | 50.5° | 60.1° |
| OA7 | C91 | C92 | H83 | 43.3° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.6° | 60.0° |
| H1 | C01 | C02 | H5 | 59.6° | 180.0° |
| H2 | C01 | C02 | H4 | 179.6° | 180.0° |
| H2 | C01 | C02 | H5 | 60.4° | 60.0° |
| H3 | C01 | C02 | H4 | 60.4° | 60.0° |
| H3 | C01 | C02 | H5 | 179.6° | 60.0° |
| H4 | C02 | C03 | H6 | 163.2° | 180.0° |
| H4 | C02 | C03 | H7 | 77.5° | 60.0° |
| H5 | C02 | C03 | H6 | 44.0° | 60.0° |
| H5 | C02 | C03 | H7 | 163.3° | 180.0° |
| H6 | C03 | C04 | H8 | 174.7° | 179.9° |
| H6 | C03 | C04 | H9 | 55.5° | 60.0° |
| H7 | C03 | C04 | H8 | 66.1° | 60.0° |
| H7 | C03 | C04 | H9 | 174.8° | NaN° |
| H8 | C04 | C05 | H10 | 115.5° | 179.9° |
| H8 | C04 | C05 | H11 | 125.3° | 59.9° |
| H9 | C04 | C05 | H10 | 3.6° | 60.0° |
| H9 | C04 | C05 | H11 | 115.6° | 180.0° |
| H10 | C05 | C06 | H12 | 147.5° | 180.0° |
| H10 | C05 | C06 | H13 | 93.3° | 60.0° |
| H11 | C05 | C06 | H12 | 28.4° | 60.0° |
| H11 | C05 | C06 | H13 | 147.5° | NaN° |
| H12 | C06 | C07 | H14 | 145.1° | 180.0° |
| H12 | C06 | C07 | H15 | 95.4° | 60.0° |
| H13 | C06 | C07 | H14 | 25.9° | 60.0° |
| H13 | C06 | C07 | H15 | 145.4° | 180.0° |
| H14 | C07 | C08 | H16 | 164.3° | 180.0° |
| H14 | C07 | C08 | H17 | 76.9° | 60.0° |
| H15 | C07 | C08 | H16 | 44.9° | 60.0° |
| H15 | C07 | C08 | H17 | 163.7° | 180.0° |
| H16 | C08 | C09 | H18 | 178.8° | 180.0° |
| H16 | C08 | C09 | H19 | 61.7° | 60.0° |
| H17 | C08 | C09 | H18 | 60.0° | 60.0° |
| H17 | C08 | C09 | H19 | 179.5° | 180.0° |
| H18 | C09 | C10 | H20 | 140.6° | 179.9° |
| H18 | C09 | C10 | H21 | 100.2° | 60.0° |
| H19 | C09 | C10 | H20 | 21.0° | 60.1° |
| H19 | C09 | C10 | H21 | 140.2° | 180.0° |
| H20 | C10 | C11 | H22 | 171.0° | 180.0° |
| H20 | C10 | C11 | H23 | 69.8° | 60.0° |
| H21 | C10 | C11 | H22 | 51.8° | 60.0° |
| H21 | C10 | C11 | H23 | 171.1° | 180.0° |
| H22 | C11 | C12 | H24 | 172.6° | 180.0° |
| H22 | C11 | C12 | H25 | 53.4° | 59.9° |
| H23 | C11 | C12 | H24 | 53.4° | 59.9° |
| H23 | C11 | C12 | H25 | 65.8° | 180.0° |
| H24 | C12 | C13 | H26 | 174.5° | 180.0° |
| H24 | C12 | C13 | H27 | 55.2° | 60.0° |
| H25 | C12 | C13 | H26 | 66.4° | 60.0° |
| H25 | C12 | C13 | H27 | 174.4° | 180.0° |
| H26 | C13 | C14 | H28 | 95.2° | 180.0° |
| H26 | C13 | C14 | H29 | 23.6° | 60.0° |
| H27 | C13 | C14 | H28 | 145.5° | 60.0° |
| H27 | C13 | C14 | H29 | 95.7° | 180.0° |
| H28 | C14 | C15 | H30 | 165.4° | 180.0° |
| H28 | C14 | C15 | H31 | 75.5° | 60.0° |
| H29 | C14 | C15 | H30 | 46.6° | 60.0° |
| H29 | C14 | C15 | H31 | 165.8° | NaN° |
| H30 | C15 | C16 | H32 | 156.4° | 180.0° |
| H30 | C15 | C16 | H33 | 84.9° | 60.0° |
| H31 | C15 | C16 | H32 | 37.3° | 60.0° |
| H31 | C15 | C16 | H33 | 155.9° | NaN° |
| H32 | C16 | C17 | H34 | 67.4° | 180.0° |
| H32 | C16 | C17 | H35 | 173.5° | 60.0° |
| H33 | C16 | C17 | H34 | 51.2° | 60.0° |
| H33 | C16 | C17 | H35 | 67.9° | 180.0° |
| H36 | C21 | C22 | H37 | 32.3° | 55.1° |
| H36 | C21 | C22 | H38 | 152.2° | 65.0° |
| H36 | C21 | C91 | H82 | 170.6° | 179.9° |
| H36 | C21 | N20 | H112 | 3.5° | 145.0° |
| H39 | C24 | C25 | H40 | 176.7° | 177.7° |
| H40 | C25 | C26 | H41 | 172.8° | 177.2° |
| H40 | C25 | O90 | H130 | 62.8° | 60.1° |
| H41 | C26 | C27 | H42 | 159.2° | 177.2° |
| H41 | C26 | O89 | H129 | 61.2° | 59.9° |
| H42 | C27 | C28 | H43 | 158.6° | 177.6° |
| H43 | C28 | C30 | H44 | 132.9° | 64.9° |
| H43 | C28 | C30 | H45 | 106.9° | 175.0° |
| H44 | C30 | O31 | H115 | 60.1° | 60.0° |
| H45 | C30 | O31 | H115 | 60.1° | 59.9° |
| H46 | C33 | C34 | H47 | 164.7° | 177.7° |
| H47 | C34 | C35 | H48 | 166.4° | 177.1° |
| H47 | C34 | O88 | H128 | 60.8° | 60.1° |
| H48 | C35 | C36 | H49 | 53.6° | 57.0° |
| H49 | C36 | C37 | H50 | 62.7° | 57.6° |
| H50 | C37 | C39 | H51 | 144.5° | 64.6° |
| H50 | C37 | C39 | H52 | 24.0° | 175.4° |
| H51 | C39 | O40 | H116 | 60.3° | 60.0° |
| H52 | C39 | O40 | H116 | 60.3° | 60.0° |
| H53 | C42 | C43 | H54 | 172.8° | 177.6° |
| H54 | C43 | C44 | H55 | 161.6° | 177.2° |
| H54 | C43 | N63 | H113 | 155.8° | 144.9° |
| H55 | C44 | C45 | H56 | 44.7° | 57.0° |
| H56 | C45 | C46 | H57 | 52.7° | 57.5° |
| H56 | C45 | O50 | H118 | 62.9° | 59.8° |
| H57 | C46 | C48 | H58 | 141.5° | 65.0° |
| H57 | C46 | C48 | H59 | 97.7° | 175.0° |
| H58 | C48 | O49 | H117 | 60.5° | 60.0° |
| H59 | C48 | O49 | H117 | 60.4° | 60.1° |
| H60 | C52 | C53 | H61 | 157.3° | 177.7° |
| H61 | C53 | C54 | H62 | 159.3° | 177.2° |
| H61 | C53 | O62 | H122 | 63.6° | 60.2° |
| H62 | C54 | C55 | H63 | 51.9° | 57.0° |
| H62 | C54 | O61 | H121 | 62.7° | 60.1° |
| H63 | C55 | C56 | H64 | 64.5° | 57.5° |
| H63 | C55 | O60 | H120 | 60.4° | 59.8° |
| H64 | C56 | C58 | H65 | 121.7° | 65.0° |
| H64 | C56 | C58 | H66 | 119.0° | 175.0° |
| H65 | C58 | O59 | H119 | 59.6° | 60.0° |
| H66 | C58 | O59 | H119 | 59.6° | 60.0° |
| H67 | C66 | H68 | H69 | 120.0° | 120.0° |
| H70 | C69 | C70 | H72 | 177.9° | 177.1° |
| H71 | C69 | C70 | H72 | 59.0° | 56.9° |
| H72 | C70 | C71 | H73 | 174.8° | 177.1° |
| H72 | C70 | O84 | H126 | 114.7° | 60.2° |
| H73 | C71 | C72 | H74 | 174.3° | 177.6° |
| H73 | C71 | N80 | H114 | 141.1° | 144.9° |
| H74 | C72 | C74 | H75 | 45.5° | 55.8° |
| H75 | C74 | C75 | H76 | 101.5° | 175.6° |
| H75 | C74 | O79 | H125 | 58.9° | 179.9° |
| H76 | C75 | C76 | H77 | 135.9° | 65.0° |
| H76 | C75 | C76 | H78 | 103.2° | 175.0° |
| H76 | C75 | O78 | H124 | 63.1° | 180.0° |
| H77 | C76 | O77 | H123 | 60.4° | 60.0° |
| H78 | C76 | O77 | H123 | 60.5° | 60.0° |
| H79 | C83 | H80 | H81 | 120.0° | 120.0° |
| H82 | C91 | C92 | H83 | 163.7° | 180.0° |
| H82 | C91 | OA7 | H131 | 61.6° | 60.0° |
| H83 | C92 | C93 | H84 | 179.8° | 180.0° |
| H84 | C93 | C94 | H85 | 136.3° | 65.0° |
| H84 | C93 | C94 | H86 | 104.2° | 175.0° |
| H85 | C94 | C95 | H87 | 64.1° | 180.0° |
| H85 | C94 | C95 | H88 | 176.5° | 60.0° |
| H86 | C94 | C95 | H87 | 55.3° | 60.0° |
| H86 | C94 | C95 | H88 | 64.0° | 180.0° |
| H87 | C95 | C96 | H89 | 149.5° | 180.0° |
| H87 | C95 | C96 | H90 | 91.3° | 60.0° |
| H88 | C95 | C96 | H89 | 30.1° | 60.0° |
| H88 | C95 | C96 | H90 | 149.4° | 180.0° |
| H89 | C96 | C97 | H91 | 26.9° | 180.0° |
| H89 | C96 | C97 | H92 | 92.8° | 60.0° |
| H90 | C96 | C97 | H91 | 146.1° | 59.9° |
| H90 | C96 | C97 | H92 | 26.5° | 179.9° |
| H91 | C97 | C98 | H93 | 13.4° | 180.0° |
| H91 | C97 | C98 | H94 | 105.7° | 59.9° |
| H92 | C97 | C98 | H93 | 106.2° | 60.0° |
| H92 | C97 | C98 | H94 | 134.7° | 180.0° |
| H93 | C98 | C99 | H95 | 48.1° | 180.0° |
| H93 | C98 | C99 | H96 | 167.3° | 59.9° |
| H94 | C98 | C99 | H95 | 71.0° | 59.9° |
| H94 | C98 | C99 | H96 | 48.2° | 180.0° |
| H95 | C99 | CA0 | H97 | 169.3° | 180.0° |
| H95 | C99 | CA0 | H98 | 71.5° | 60.1° |
| H96 | C99 | CA0 | H97 | 71.4° | 60.0° |
| H96 | C99 | CA0 | H98 | 47.8° | 179.9° |
| H97 | CA0 | CA1 | H99 | 107.8° | NaN° |
| H97 | CA0 | CA1 | H100 | 11.5° | 60.0° |
| H98 | CA0 | CA1 | H99 | 133.0° | 60.0° |
| H98 | CA0 | CA1 | H100 | 107.7° | 180.0° |
| H99 | CA1 | CA2 | H101 | 47.6° | 180.0° |
| H99 | CA1 | CA2 | H102 | 71.7° | 60.1° |
| H100 | CA1 | CA2 | H101 | 71.7° | 60.1° |
| H100 | CA1 | CA2 | H102 | 169.0° | 180.0° |
| H101 | CA2 | CA3 | H103 | 168.2° | 180.0° |
| H101 | CA2 | CA3 | H104 | 48.8° | 60.0° |
| H102 | CA2 | CA3 | H103 | 72.5° | 60.0° |
| H102 | CA2 | CA3 | H104 | 168.1° | 180.0° |
| H103 | CA3 | CA4 | H105 | 33.6° | 180.0° |
| H103 | CA3 | CA4 | H106 | 85.7° | 59.9° |
| H104 | CA3 | CA4 | H105 | 85.9° | 59.9° |
| H104 | CA3 | CA4 | H106 | 154.9° | 180.0° |
| H105 | CA4 | CA5 | H107 | 102.8° | 180.0° |
| H105 | CA4 | CA5 | H108 | 138.0° | 60.0° |
| H106 | CA4 | CA5 | H107 | 16.4° | 60.0° |
| H106 | CA4 | CA5 | H108 | 102.7° | 180.0° |
| H107 | CA5 | CA6 | H109 | 59.6° | 180.0° |
| H107 | CA5 | CA6 | H110 | 60.4° | 60.0° |
| H107 | CA5 | CA6 | H111 | 179.6° | 60.0° |
| H108 | CA5 | CA6 | H109 | 59.6° | 60.0° |
| H108 | CA5 | CA6 | H110 | 179.6° | 180.0° |
| H108 | CA5 | CA6 | H111 | 60.4° | 60.0° |
| H109 | CA6 | H110 | H111 | 120.0° | 120.0° |
