A1C27
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O82 | C80 | doub | 1.21Å | 1.23Å | |
| C80 | C79 | sing | 1.51Å | 1.53Å | |
| C80 | N81 | sing | 1.35Å | 1.33Å | |
| C79 | C78 | sing | 1.53Å | 1.55Å | |
| C85 | C84 | doub | 1.38Å | 1.39Å | Aromatic |
| C85 | C86 | sing | 1.38Å | 1.39Å | Aromatic |
| C84 | C83 | sing | 1.38Å | 1.40Å | Aromatic |
| F87 | C86 | sing | 1.35Å | 1.35Å | |
| C86 | C88 | doub | 1.39Å | 1.40Å | Aromatic |
| C83 | C78 | sing | 1.51Å | 1.54Å | |
| C83 | C90 | doub | 1.38Å | 1.40Å | Aromatic |
| C78 | N77 | sing | 1.46Å | 1.48Å | |
| C88 | C90 | sing | 1.38Å | 1.40Å | Aromatic |
| C88 | CL89 | sing | 1.74Å | 1.72Å | |
| N77 | C76 | sing | 1.35Å | 1.35Å | |
| O91 | C76 | doub | 1.22Å | 1.23Å | |
| C76 | C75 | sing | 1.47Å | 1.48Å | |
| F74 | C73 | sing | 1.35Å | 1.35Å | |
| C75 | C92 | doub | 1.38Å | 1.39Å | Aromatic |
| C75 | C66 | sing | 1.47Å | 1.42Å | Aromatic |
| C92 | N93 | sing | 1.34Å | 1.40Å | Aromatic |
| C73 | C72 | doub | 1.38Å | 1.40Å | Aromatic |
| C73 | C67 | sing | 1.40Å | 1.41Å | Aromatic |
| C72 | C70 | sing | 1.38Å | 1.41Å | Aromatic |
| C66 | C67 | sing | 1.48Å | 1.46Å | |
| C66 | C65 | doub | 1.39Å | 1.36Å | Aromatic |
| C67 | C68 | doub | 1.40Å | 1.41Å | Aromatic |
| C70 | CL71 | sing | 1.74Å | 1.71Å | |
| C70 | C69 | doub | 1.39Å | 1.40Å | Aromatic |
| N93 | C65 | sing | 1.38Å | 1.38Å | Aromatic |
| C68 | C69 | sing | 1.38Å | 1.40Å | Aromatic |
| C65 | C64 | sing | 1.41Å | 1.43Å | |
| C64 | C63 | doub | 1.36Å | 1.34Å | |
| C63 | C62 | sing | 1.41Å | 1.45Å | |
| C62 | O94 | doub | 1.22Å | 1.23Å | |
| C62 | N61 | sing | 1.35Å | 1.34Å | |
| N61 | C60 | sing | 1.46Å | 1.46Å | |
| C60 | C59 | sing | 1.53Å | 1.53Å | |
| O58 | C59 | sing | 1.43Å | 1.42Å | |
| O58 | C57 | sing | 1.43Å | 1.43Å | |
| C51 | O52 | sing | 1.43Å | 1.42Å | |
| C51 | C50 | sing | 1.53Å | 1.54Å | |
| O52 | C53 | sing | 1.43Å | 1.43Å | |
| C57 | C56 | sing | 1.53Å | 1.54Å | |
| O49 | C50 | sing | 1.43Å | 1.42Å | |
| O49 | C48 | sing | 1.43Å | 1.42Å | |
| C54 | C53 | sing | 1.53Å | 1.53Å | |
| C54 | O55 | sing | 1.43Å | 1.42Å | |
| O55 | C56 | sing | 1.43Å | 1.42Å | |
| C47 | C48 | sing | 1.53Å | 1.54Å | |
| C47 | O46 | sing | 1.43Å | 1.42Å | |
| O46 | C45 | sing | 1.43Å | 1.42Å | |
| C45 | C44 | sing | 1.53Å | 1.54Å | |
| C44 | O43 | sing | 1.43Å | 1.42Å | |
| O43 | C42 | sing | 1.43Å | 1.42Å | |
| C42 | C41 | sing | 1.53Å | 1.54Å | |
| C41 | O40 | sing | 1.43Å | 1.42Å | |
| O40 | C39 | sing | 1.43Å | 1.42Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | O37 | sing | 1.43Å | 1.43Å | |
| O37 | C36 | sing | 1.43Å | 1.42Å | |
| C32 | O31 | sing | 1.43Å | 1.42Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C30 | O31 | sing | 1.43Å | 1.42Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.55Å | |
| C33 | O34 | sing | 1.43Å | 1.43Å | |
| C29 | O28 | sing | 1.43Å | 1.42Å | |
| C35 | O34 | sing | 1.43Å | 1.43Å | |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | N25 | sing | 1.46Å | 1.46Å | |
| N25 | C23 | sing | 1.35Å | 1.34Å | |
| O24 | C23 | doub | 1.22Å | 1.23Å | |
| C23 | C22 | sing | 1.41Å | 1.44Å | |
| C22 | C21 | doub | 1.36Å | 1.35Å | |
| C21 | C20 | sing | 1.41Å | 1.46Å | |
| C98 | C97 | doub | 1.38Å | 1.39Å | Aromatic |
| C98 | C99 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N19 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C95 | doub | 1.39Å | 1.39Å | Aromatic |
| C97 | C96 | sing | 1.40Å | 1.40Å | Aromatic |
| CLA0 | C99 | sing | 1.74Å | 1.72Å | |
| N19 | C18 | sing | 1.34Å | 1.37Å | Aromatic |
| C99 | CA1 | doub | 1.38Å | 1.40Å | Aromatic |
| C96 | C95 | sing | 1.48Å | 1.48Å | |
| C96 | CA2 | doub | 1.40Å | 1.40Å | Aromatic |
| C95 | C01 | sing | 1.47Å | 1.42Å | Aromatic |
| CA1 | CA2 | sing | 1.38Å | 1.39Å | Aromatic |
| CA2 | FA3 | sing | 1.35Å | 1.35Å | |
| C18 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.47Å | 1.45Å | |
| C02 | O17 | doub | 1.22Å | 1.23Å | |
| C02 | N03 | sing | 1.35Å | 1.35Å | |
| CL15 | C14 | sing | 1.74Å | 1.73Å | |
| N03 | C04 | sing | 1.47Å | 1.48Å | |
| C16 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C09 | sing | 1.51Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | F13 | sing | 1.35Å | 1.35Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| N07 | C06 | sing | 1.35Å | 1.33Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | O08 | doub | 1.21Å | 1.23Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.08Å | 1.08Å | |
| C64 | H641 | sing | 1.08Å | 1.08Å | |
| C68 | H681 | sing | 1.08Å | 1.08Å | |
| C69 | H691 | sing | 1.08Å | 1.08Å | |
| C72 | H721 | sing | 1.08Å | 1.08Å | |
| C78 | H781 | sing | 1.09Å | 1.10Å | |
| C79 | H792 | sing | 1.09Å | 1.10Å | |
| C79 | H791 | sing | 1.09Å | 1.10Å | |
| C84 | H841 | sing | 1.08Å | 1.08Å | |
| C85 | H851 | sing | 1.08Å | 1.08Å | |
| C90 | H901 | sing | 1.08Å | 1.08Å | |
| C92 | H921 | sing | 1.08Å | 1.08Å | |
| C97 | H971 | sing | 1.08Å | 1.08Å | |
| C98 | H981 | sing | 1.08Å | 1.08Å | |
| CA1 | HA11 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N07 | H072 | sing | 0.97Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N61 | H611 | sing | 0.97Å | 1.00Å | |
| N77 | H771 | sing | 0.97Å | 1.00Å | |
| N81 | H811 | sing | 0.97Å | 1.00Å | |
| N81 | H812 | sing | 0.97Å | 1.00Å | |
| N93 | H931 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O82 | C80 | C79 | 120.7° | 120.0° |
| O82 | C80 | N81 | 122.1° | 120.0° |
| C79 | C80 | N81 | 117.2° | 120.1° |
| C80 | C79 | C78 | 115.2° | 109.5° |
| C80 | C79 | H792 | 108.0° | 109.5° |
| C80 | C79 | H791 | 108.0° | 109.4° |
| C80 | N81 | H811 | 120.0° | 120.0° |
| C80 | N81 | H812 | 120.0° | 120.0° |
| C79 | C78 | C83 | 109.6° | 109.5° |
| C79 | C78 | N77 | 114.2° | 109.5° |
| C79 | C78 | H781 | 105.6° | 109.5° |
| C78 | C79 | H792 | 108.0° | 109.5° |
| C78 | C79 | H791 | 108.0° | 109.5° |
| C84 | C85 | C86 | 120.1° | 120.0° |
| C85 | C84 | C83 | 120.6° | 120.1° |
| C85 | C84 | H841 | 119.7° | 120.0° |
| C84 | C85 | H851 | 120.0° | 120.0° |
| C85 | C86 | F87 | 119.1° | 120.1° |
| C85 | C86 | C88 | 119.9° | 119.9° |
| C86 | C85 | H851 | 120.0° | 119.9° |
| C84 | C83 | C78 | 119.2° | 119.9° |
| C84 | C83 | C90 | 118.9° | 120.0° |
| C83 | C84 | H841 | 119.7° | 120.0° |
| F87 | C86 | C88 | 121.0° | 120.0° |
| C86 | C88 | C90 | 120.0° | 119.9° |
| C86 | C88 | CL89 | 121.0° | 120.0° |
| C78 | C83 | C90 | 121.9° | 120.0° |
| C83 | C78 | N77 | 114.5° | 109.5° |
| C83 | C78 | H781 | 105.8° | 109.5° |
| C83 | C90 | C88 | 120.5° | 120.1° |
| C83 | C90 | H901 | 119.7° | 120.0° |
| C78 | N77 | C76 | 123.6° | 120.0° |
| N77 | C78 | H781 | 106.4° | 109.5° |
| C78 | N77 | H771 | 118.2° | 120.0° |
| C90 | C88 | CL89 | 119.1° | 120.1° |
| C88 | C90 | H901 | 119.8° | 119.9° |
| N77 | C76 | O91 | 121.6° | 120.0° |
| N77 | C76 | C75 | 118.4° | 120.0° |
| C76 | N77 | H771 | 118.2° | 120.0° |
| O91 | C76 | C75 | 119.9° | 120.0° |
| C76 | C75 | C92 | 127.6° | 126.8° |
| C76 | C75 | C66 | 125.9° | 126.8° |
| F74 | C73 | C72 | 119.5° | 120.1° |
| F74 | C73 | C67 | 120.3° | 120.1° |
| C92 | C75 | C66 | 106.3° | 106.4° |
| C75 | C92 | N93 | 106.9° | 109.3° |
| C75 | C92 | H921 | 126.5° | 125.4° |
| C75 | C66 | C67 | 127.1° | 127.1° |
| C75 | C66 | C65 | 110.0° | 105.8° |
| C92 | N93 | C65 | 110.2° | 110.6° |
| N93 | C92 | H921 | 126.6° | 125.3° |
| C92 | N93 | H931 | 124.9° | 124.8° |
| C72 | C73 | C67 | 120.1° | 119.8° |
| C73 | C72 | C70 | 119.8° | 120.1° |
| C73 | C72 | H721 | 120.1° | 120.0° |
| C73 | C67 | C66 | 120.4° | 120.2° |
| C73 | C67 | C68 | 119.8° | 119.7° |
| C72 | C70 | CL71 | 120.9° | 119.9° |
| C72 | C70 | C69 | 120.5° | 120.3° |
| C70 | C72 | H721 | 120.1° | 119.9° |
| C67 | C66 | C65 | 122.9° | 127.1° |
| C66 | C67 | C68 | 119.8° | 120.2° |
| C66 | C65 | N93 | 106.6° | 108.0° |
| C66 | C65 | C64 | 128.0° | 126.0° |
| C67 | C68 | C69 | 120.1° | 119.9° |
| C67 | C68 | H681 | 119.9° | 120.0° |
| CL71 | C70 | C69 | 118.5° | 119.8° |
| C70 | C69 | C68 | 119.7° | 120.2° |
| C70 | C69 | H691 | 120.1° | 119.9° |
| N93 | C65 | C64 | 125.4° | 126.0° |
| C65 | N93 | H931 | 124.9° | 124.7° |
| C69 | C68 | H681 | 119.9° | 120.0° |
| C68 | C69 | H691 | 120.2° | 120.0° |
| C65 | C64 | C63 | 133.0° | 120.0° |
| C65 | C64 | H641 | 113.5° | 120.0° |
| C64 | C63 | C62 | 118.5° | 120.0° |
| C64 | C63 | H631 | 120.7° | 120.0° |
| C63 | C64 | H641 | 113.5° | 120.0° |
| C63 | C62 | O94 | 125.1° | 120.0° |
| C63 | C62 | N61 | 111.5° | 120.0° |
| C62 | C63 | H631 | 120.7° | 120.0° |
| O94 | C62 | N61 | 123.4° | 120.0° |
| C62 | N61 | C60 | 124.8° | 120.0° |
| C62 | N61 | H611 | 117.6° | 120.0° |
| N61 | C60 | C59 | 111.1° | 109.5° |
| N61 | C60 | H602 | 109.1° | 109.5° |
| N61 | C60 | H601 | 109.1° | 109.5° |
| C60 | N61 | H611 | 117.6° | 120.0° |
| C60 | C59 | O58 | 109.2° | 109.4° |
| C60 | C59 | H591 | 109.5° | 109.5° |
| C60 | C59 | H592 | 109.5° | 109.5° |
| C59 | C60 | H602 | 109.1° | 109.5° |
| C59 | C60 | H601 | 109.1° | 109.5° |
| C59 | O58 | C57 | 115.4° | 114.0° |
| O58 | C59 | H591 | 109.5° | 109.5° |
| O58 | C59 | H592 | 109.5° | 109.5° |
| O58 | C57 | C56 | 113.4° | 109.5° |
| O58 | C57 | H572 | 108.5° | 109.5° |
| O58 | C57 | H571 | 108.5° | 109.5° |
| O52 | C51 | C50 | 113.9° | 109.5° |
| C51 | O52 | C53 | 113.9° | 114.0° |
| O52 | C51 | H512 | 108.3° | 109.5° |
| O52 | C51 | H511 | 108.3° | 109.5° |
| C51 | C50 | O49 | 111.9° | 109.5° |
| C51 | C50 | H501 | 108.8° | 109.5° |
| C51 | C50 | H502 | 108.9° | 109.4° |
| C50 | C51 | H512 | 108.3° | 109.5° |
| C50 | C51 | H511 | 108.4° | 109.5° |
| O52 | C53 | C54 | 110.2° | 109.4° |
| O52 | C53 | H532 | 109.3° | 109.5° |
| O52 | C53 | H531 | 109.3° | 109.5° |
| C57 | C56 | O55 | 112.0° | 109.5° |
| C57 | C56 | H561 | 108.8° | 109.5° |
| C57 | C56 | H562 | 108.8° | 109.5° |
| C56 | C57 | H572 | 108.5° | 109.5° |
| C56 | C57 | H571 | 108.5° | 109.4° |
| C50 | O49 | C48 | 111.4° | 114.0° |
| O49 | C50 | H501 | 108.9° | 109.5° |
| O49 | C50 | H502 | 108.8° | 109.5° |
| O49 | C48 | C47 | 111.6° | 109.4° |
| O49 | C48 | H482 | 108.9° | 109.5° |
| O49 | C48 | H481 | 108.9° | 109.4° |
| C53 | C54 | O55 | 109.2° | 109.4° |
| C54 | C53 | H532 | 109.3° | 109.4° |
| C54 | C53 | H531 | 109.3° | 109.5° |
| C53 | C54 | H542 | 109.6° | 109.5° |
| C53 | C54 | H541 | 109.6° | 109.5° |
| C54 | O55 | C56 | 114.0° | 114.0° |
| O55 | C54 | H542 | 109.5° | 109.5° |
| O55 | C54 | H541 | 109.5° | 109.5° |
| O55 | C56 | H561 | 108.8° | 109.5° |
| O55 | C56 | H562 | 108.8° | 109.4° |
| C48 | C47 | O46 | 112.2° | 109.5° |
| C48 | C47 | H472 | 108.8° | 109.4° |
| C48 | C47 | H471 | 108.8° | 109.4° |
| C47 | C48 | H482 | 108.9° | 109.5° |
| C47 | C48 | H481 | 108.9° | 109.4° |
| C47 | O46 | C45 | 115.4° | 114.0° |
| O46 | C47 | H472 | 108.8° | 109.5° |
| O46 | C47 | H471 | 108.8° | 109.5° |
| O46 | C45 | C44 | 109.5° | 109.5° |
| O46 | C45 | H452 | 109.5° | 109.4° |
| O46 | C45 | H451 | 109.5° | 109.5° |
| C45 | C44 | O43 | 113.1° | 109.5° |
| C45 | C44 | H441 | 108.6° | 109.4° |
| C45 | C44 | H442 | 108.6° | 109.5° |
| C44 | C45 | H452 | 109.4° | 109.5° |
| C44 | C45 | H451 | 109.5° | 109.5° |
| C44 | O43 | C42 | 117.0° | 114.0° |
| O43 | C44 | H441 | 108.6° | 109.5° |
| O43 | C44 | H442 | 108.6° | 109.5° |
| O43 | C42 | C41 | 112.8° | 109.5° |
| O43 | C42 | H421 | 108.6° | 109.5° |
| O43 | C42 | H422 | 108.7° | 109.5° |
| C42 | C41 | O40 | 111.0° | 109.5° |
| C42 | C41 | H412 | 109.1° | 109.5° |
| C42 | C41 | H411 | 109.1° | 109.4° |
| C41 | C42 | H421 | 108.6° | 109.5° |
| C41 | C42 | H422 | 108.6° | 109.4° |
| C41 | O40 | C39 | 113.5° | 114.0° |
| O40 | C41 | H412 | 109.1° | 109.5° |
| O40 | C41 | H411 | 109.1° | 109.5° |
| O40 | C39 | C38 | 108.4° | 109.4° |
| O40 | C39 | H391 | 109.8° | 109.5° |
| O40 | C39 | H392 | 109.7° | 109.5° |
| C39 | C38 | O37 | 113.4° | 109.5° |
| C39 | C38 | H382 | 108.5° | 109.5° |
| C39 | C38 | H381 | 108.5° | 109.5° |
| C38 | C39 | H391 | 109.7° | 109.4° |
| C38 | C39 | H392 | 109.8° | 109.5° |
| C38 | O37 | C36 | 117.2° | 114.0° |
| O37 | C38 | H382 | 108.5° | 109.4° |
| O37 | C38 | H381 | 108.5° | 109.5° |
| O37 | C36 | C35 | 113.4° | 109.5° |
| O37 | C36 | H361 | 108.5° | 109.5° |
| O37 | C36 | H362 | 108.5° | 109.5° |
| O31 | C32 | C33 | 108.4° | 109.5° |
| C32 | O31 | C30 | 114.3° | 114.0° |
| O31 | C32 | H322 | 109.7° | 109.5° |
| O31 | C32 | H321 | 109.8° | 109.4° |
| C32 | C33 | O34 | 116.8° | 109.5° |
| C33 | C32 | H322 | 109.8° | 109.5° |
| C33 | C32 | H321 | 109.8° | 109.5° |
| C32 | C33 | H331 | 107.6° | 109.4° |
| C32 | C33 | H332 | 107.6° | 109.4° |
| O31 | C30 | C29 | 107.9° | 109.5° |
| O31 | C30 | H302 | 109.8° | 109.5° |
| O31 | C30 | H301 | 109.8° | 109.5° |
| C30 | C29 | O28 | 111.2° | 109.5° |
| C30 | C29 | H291 | 109.1° | 109.5° |
| C30 | C29 | H292 | 109.0° | 109.5° |
| C29 | C30 | H302 | 109.9° | 109.5° |
| C29 | C30 | H301 | 109.9° | 109.5° |
| C36 | C35 | O34 | 112.2° | 109.5° |
| C36 | C35 | H351 | 108.8° | 109.5° |
| C36 | C35 | H352 | 108.8° | 109.5° |
| C35 | C36 | H361 | 108.5° | 109.4° |
| C35 | C36 | H362 | 108.5° | 109.5° |
| C33 | O34 | C35 | 116.0° | 114.0° |
| O34 | C33 | H331 | 107.6° | 109.5° |
| O34 | C33 | H332 | 107.6° | 109.5° |
| C29 | O28 | C27 | 115.8° | 114.0° |
| O28 | C29 | H291 | 109.0° | 109.5° |
| O28 | C29 | H292 | 109.1° | 109.4° |
| O34 | C35 | H351 | 108.8° | 109.4° |
| O34 | C35 | H352 | 108.8° | 109.5° |
| O28 | C27 | C26 | 109.8° | 109.5° |
| O28 | C27 | H272 | 109.4° | 109.5° |
| O28 | C27 | H271 | 109.4° | 109.4° |
| C27 | C26 | N25 | 112.4° | 109.5° |
| C27 | C26 | H261 | 108.7° | 109.4° |
| C27 | C26 | H262 | 108.8° | 109.4° |
| C26 | C27 | H272 | 109.4° | 109.5° |
| C26 | C27 | H271 | 109.4° | 109.4° |
| C26 | N25 | C23 | 125.2° | 120.0° |
| N25 | C26 | H261 | 108.7° | 109.6° |
| N25 | C26 | H262 | 108.7° | 109.5° |
| C26 | N25 | H251 | 117.4° | 120.0° |
| N25 | C23 | O24 | 123.5° | 120.0° |
| N25 | C23 | C22 | 113.1° | 120.0° |
| C23 | N25 | H251 | 117.4° | 120.0° |
| O24 | C23 | C22 | 123.3° | 120.0° |
| C23 | C22 | C21 | 122.1° | 120.0° |
| C23 | C22 | H221 | 118.9° | 120.0° |
| C22 | C21 | C20 | 130.0° | 120.0° |
| C22 | C21 | H211 | 115.0° | 120.0° |
| C21 | C22 | H221 | 118.9° | 120.0° |
| C21 | C20 | N19 | 124.3° | 125.9° |
| C21 | C20 | C95 | 129.2° | 126.0° |
| C20 | C21 | H211 | 115.0° | 119.9° |
| C97 | C98 | C99 | 120.0° | 120.2° |
| C98 | C97 | C96 | 119.9° | 119.9° |
| C98 | C97 | H971 | 120.1° | 120.0° |
| C97 | C98 | H981 | 120.0° | 119.9° |
| C98 | C99 | CLA0 | 119.2° | 119.9° |
| C98 | C99 | CA1 | 120.2° | 120.3° |
| C99 | C98 | H981 | 120.0° | 119.9° |
| N19 | C20 | C95 | 106.5° | 108.1° |
| C20 | N19 | C18 | 109.7° | 110.5° |
| C20 | N19 | H191 | 125.1° | 124.8° |
| C20 | C95 | C96 | 121.9° | 127.1° |
| C20 | C95 | C01 | 109.6° | 105.8° |
| C97 | C96 | C95 | 119.3° | 120.2° |
| C97 | C96 | CA2 | 120.2° | 119.7° |
| C96 | C97 | H971 | 120.1° | 120.0° |
| CLA0 | C99 | CA1 | 120.6° | 119.9° |
| N19 | C18 | C01 | 109.2° | 109.3° |
| N19 | C18 | H181 | 125.4° | 125.3° |
| C18 | N19 | H191 | 125.1° | 124.8° |
| C99 | CA1 | CA2 | 120.0° | 120.1° |
| C99 | CA1 | HA11 | 120.0° | 119.9° |
| C95 | C96 | CA2 | 120.4° | 120.1° |
| C96 | C95 | C01 | 128.5° | 127.1° |
| C96 | CA2 | CA1 | 119.7° | 119.8° |
| C96 | CA2 | FA3 | 120.5° | 120.1° |
| C95 | C01 | C18 | 105.0° | 106.4° |
| C95 | C01 | C02 | 126.0° | 126.8° |
| CA1 | CA2 | FA3 | 119.7° | 120.1° |
| CA2 | CA1 | HA11 | 120.0° | 120.0° |
| C18 | C01 | C02 | 128.9° | 126.8° |
| C01 | C18 | H181 | 125.4° | 125.4° |
| C01 | C02 | O17 | 120.7° | 120.0° |
| C01 | C02 | N03 | 117.5° | 120.0° |
| O17 | C02 | N03 | 121.8° | 120.0° |
| C02 | N03 | C04 | 123.9° | 120.0° |
| C02 | N03 | H031 | 118.0° | 120.0° |
| CL15 | C14 | C16 | 119.0° | 120.0° |
| CL15 | C14 | C12 | 121.1° | 120.0° |
| N03 | C04 | C09 | 114.0° | 109.4° |
| N03 | C04 | C05 | 113.6° | 109.5° |
| N03 | C04 | H041 | 107.4° | 109.5° |
| C04 | N03 | H031 | 118.1° | 120.0° |
| C14 | C16 | C09 | 120.6° | 120.0° |
| C16 | C14 | C12 | 119.9° | 120.0° |
| C14 | C16 | H161 | 119.7° | 120.1° |
| C16 | C09 | C04 | 121.7° | 120.0° |
| C16 | C09 | C10 | 118.9° | 120.0° |
| C09 | C16 | H161 | 119.7° | 119.9° |
| C14 | C12 | F13 | 121.1° | 120.0° |
| C14 | C12 | C11 | 119.8° | 119.9° |
| C09 | C04 | C05 | 108.1° | 109.5° |
| C04 | C09 | C10 | 119.3° | 120.0° |
| C09 | C04 | H041 | 106.7° | 109.5° |
| C04 | C05 | C06 | 116.0° | 109.5° |
| C05 | C04 | H041 | 106.6° | 109.5° |
| C04 | C05 | H051 | 107.9° | 109.5° |
| C04 | C05 | H052 | 107.8° | 109.5° |
| C09 | C10 | C11 | 120.5° | 120.0° |
| C09 | C10 | H101 | 119.7° | 119.9° |
| F13 | C12 | C11 | 119.1° | 120.0° |
| C12 | C11 | C10 | 120.2° | 120.0° |
| C12 | C11 | H111 | 119.9° | 120.0° |
| N07 | C06 | C05 | 117.6° | 120.0° |
| N07 | C06 | O08 | 122.3° | 120.0° |
| C06 | N07 | H072 | 120.0° | 120.0° |
| C06 | N07 | H071 | 120.0° | 120.1° |
| C11 | C10 | H101 | 119.7° | 120.0° |
| C10 | C11 | H111 | 119.9° | 120.0° |
| C05 | C06 | O08 | 120.1° | 120.0° |
| C06 | C05 | H051 | 107.8° | 109.5° |
| C06 | C05 | H052 | 107.8° | 109.4° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H272 | C27 | H271 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H302 | C30 | H301 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.4° | 109.5° |
| H382 | C38 | H381 | 109.4° | 109.5° |
| H391 | C39 | H392 | 109.4° | 109.5° |
| H412 | C41 | H411 | 109.5° | 109.4° |
| H421 | C42 | H422 | 109.5° | 109.4° |
| H441 | C44 | H442 | 109.4° | 109.4° |
| H452 | C45 | H451 | 109.5° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.5° |
| H482 | C48 | H481 | 109.5° | 109.5° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H512 | C51 | H511 | 109.5° | 109.5° |
| H532 | C53 | H531 | 109.5° | 109.5° |
| H542 | C54 | H541 | 109.4° | 109.5° |
| H561 | C56 | H562 | 109.5° | 109.5° |
| H572 | C57 | H571 | 109.5° | 109.5° |
| H591 | C59 | H592 | 109.5° | 109.5° |
| H602 | C60 | H601 | 109.5° | 109.4° |
| H792 | C79 | H791 | 109.5° | 109.5° |
| H072 | N07 | H071 | 120.0° | 120.0° |
| H811 | N81 | H812 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O82 | C80 | C79 | N81 | 179.5° | 179.9° |
| O82 | C80 | C79 | C78 | 72.5° | 7.8° |
| O82 | C80 | C79 | H792 | 48.4° | 112.3° |
| O82 | C80 | C79 | H791 | 166.7° | 127.8° |
| O82 | C80 | N81 | H811 | 0.0° | 180.0° |
| O82 | C80 | N81 | H812 | 180.0° | 0.1° |
| C80 | C79 | C78 | H792 | 120.8° | 120.1° |
| C80 | C79 | C78 | H791 | 120.9° | 120.0° |
| C80 | C79 | C78 | C83 | 174.8° | 66.4° |
| C80 | C79 | C78 | N77 | 55.3° | 173.6° |
| C80 | C79 | C78 | H781 | 61.3° | 53.6° |
| C80 | C79 | H792 | H791 | 117.4° | 120.0° |
| C79 | C80 | N81 | H811 | 179.4° | 0.1° |
| C79 | C80 | N81 | H812 | 0.5° | 180.0° |
| N81 | C80 | C79 | C78 | 107.0° | 172.3° |
| N81 | C80 | C79 | H792 | 132.2° | 67.7° |
| N81 | C80 | C79 | H791 | 13.8° | 52.3° |
| C80 | N81 | H811 | H812 | 180.0° | 179.9° |
| C79 | C78 | C83 | C84 | 72.5° | 80.2° |
| C79 | C78 | C83 | N77 | 129.8° | 120.0° |
| C79 | C78 | C83 | H781 | 113.4° | 120.0° |
| C79 | C78 | C83 | C90 | 106.9° | 99.9° |
| C79 | C78 | N77 | H781 | 116.1° | 120.0° |
| C79 | C78 | N77 | C76 | 152.8° | 88.5° |
| C78 | C79 | H792 | H791 | 117.4° | 120.0° |
| C79 | C78 | N77 | H771 | 27.3° | 91.5° |
| C84 | C85 | C86 | H851 | 180.0° | 179.9° |
| C85 | C84 | C83 | H841 | 180.0° | 179.9° |
| C84 | C85 | C86 | F87 | 177.9° | 180.0° |
| C84 | C85 | C86 | C88 | 1.2° | 0.1° |
| C85 | C84 | C83 | C78 | 176.6° | 180.0° |
| C85 | C84 | C83 | C90 | 2.8° | 0.1° |
| C86 | C85 | C84 | C83 | 1.2° | 0.1° |
| C85 | C86 | F87 | C88 | 179.1° | 179.9° |
| C85 | C86 | C88 | C90 | 2.0° | 0.2° |
| C85 | C86 | C88 | CL89 | 179.6° | 180.0° |
| C86 | C85 | C84 | H841 | 178.8° | 180.0° |
| C84 | C83 | C78 | C90 | 179.4° | 179.8° |
| C84 | C83 | C78 | N77 | 157.8° | 39.8° |
| C84 | C83 | C90 | C88 | 2.0° | 0.4° |
| C84 | C83 | C78 | H781 | 41.0° | 159.8° |
| C83 | C84 | C85 | H851 | 178.7° | 180.0° |
| C84 | C83 | C90 | H901 | 178.0° | 179.8° |
| F87 | C86 | C88 | C90 | 177.1° | 179.8° |
| F87 | C86 | C88 | CL89 | 1.4° | 0.1° |
| F87 | C86 | C85 | H851 | 2.1° | 0.1° |
| C86 | C88 | C90 | C83 | 0.4° | 0.4° |
| C86 | C88 | C90 | CL89 | 178.5° | 179.9° |
| C88 | C86 | C85 | H851 | 178.8° | 180.0° |
| C86 | C88 | C90 | H901 | 179.6° | 179.8° |
| C83 | C78 | N77 | H781 | 116.5° | 120.0° |
| C78 | C83 | C90 | C88 | 177.4° | 179.8° |
| C83 | C78 | N77 | C76 | 79.8° | 151.4° |
| C83 | C78 | C79 | H792 | 54.0° | 173.6° |
| C83 | C78 | C79 | H791 | 64.3° | 53.6° |
| C78 | C83 | C84 | H841 | 3.4° | 0.0° |
| C78 | C83 | C90 | H901 | 2.6° | 0.0° |
| C83 | C78 | N77 | H771 | 100.2° | 28.5° |
| C90 | C83 | C78 | N77 | 22.9° | 140.0° |
| C83 | C90 | C88 | H901 | 180.0° | 179.8° |
| C83 | C90 | C88 | CL89 | 178.9° | 179.7° |
| C90 | C83 | C78 | H781 | 139.7° | 20.1° |
| C90 | C83 | C84 | H841 | 177.2° | 179.8° |
| C78 | N77 | C76 | H771 | 180.0° | 179.9° |
| C78 | N77 | C76 | O91 | 6.4° | 5.0° |
| C78 | N77 | C76 | C75 | 171.7° | 175.0° |
| N77 | C78 | C79 | H792 | 176.1° | 53.6° |
| N77 | C78 | C79 | H791 | 65.6° | 66.4° |
| CL89 | C88 | C90 | H901 | 1.1° | 0.1° |
| N77 | C76 | O91 | C75 | 178.1° | 180.0° |
| N77 | C76 | C75 | C92 | 16.9° | 0.0° |
| N77 | C76 | C75 | C66 | 169.2° | 179.7° |
| C76 | N77 | C78 | H781 | 36.6° | 31.5° |
| O91 | C76 | C75 | C92 | 161.2° | 180.0° |
| O91 | C76 | C75 | C66 | 12.7° | 0.3° |
| O91 | C76 | N77 | H771 | 173.6° | 175.0° |
| C76 | C75 | C92 | C66 | 174.9° | 179.8° |
| C76 | C75 | C92 | N93 | 174.2° | 180.0° |
| C76 | C75 | C66 | C67 | 3.9° | 0.3° |
| C76 | C75 | C66 | C65 | 174.5° | 179.8° |
| C76 | C75 | C92 | H921 | 5.8° | 0.2° |
| C75 | C76 | N77 | H771 | 8.3° | 5.0° |
| F74 | C73 | C72 | C67 | 179.5° | 179.5° |
| F74 | C73 | C72 | C70 | 179.5° | 180.0° |
| F74 | C73 | C67 | C66 | 2.7° | 0.2° |
| F74 | C73 | C67 | C68 | 179.3° | 180.0° |
| F74 | C73 | C72 | H721 | 0.5° | 0.2° |
| C75 | C92 | N93 | H921 | 180.0° | 179.8° |
| C92 | C75 | C66 | C67 | 178.9° | 180.0° |
| C92 | C75 | C66 | C65 | 0.5° | 0.0° |
| C75 | C92 | N93 | C65 | 0.6° | 0.4° |
| C75 | C92 | N93 | H931 | 179.4° | 180.0° |
| C66 | C75 | C92 | N93 | 0.7° | 0.2° |
| C75 | C66 | C67 | C73 | 70.8° | 89.8° |
| C75 | C66 | C67 | C65 | 178.2° | 180.0° |
| C75 | C66 | C67 | C68 | 111.2° | 90.0° |
| C75 | C66 | C65 | N93 | 0.1° | 0.2° |
| C75 | C66 | C65 | C64 | 177.5° | 180.0° |
| C66 | C75 | C92 | H921 | 179.3° | 180.0° |
| C92 | N93 | C65 | C66 | 0.3° | 0.4° |
| C92 | N93 | C65 | H931 | 180.0° | 179.7° |
| C92 | N93 | C65 | C64 | 178.0° | 179.9° |
| C73 | C72 | C70 | H721 | 180.0° | 179.8° |
| C72 | C73 | C67 | C66 | 177.7° | 179.7° |
| C72 | C73 | C67 | C68 | 0.2° | 0.5° |
| C73 | C72 | C70 | CL71 | 177.6° | 179.8° |
| C73 | C72 | C70 | C69 | 0.6° | 0.3° |
| C67 | C73 | C72 | C70 | 0.0° | 0.5° |
| C73 | C67 | C66 | C68 | 177.9° | 179.8° |
| C73 | C67 | C66 | C65 | 111.0° | 90.3° |
| C73 | C67 | C68 | C69 | 0.9° | 0.2° |
| C73 | C67 | C68 | H681 | 179.1° | 179.7° |
| C67 | C73 | C72 | H721 | 180.0° | 179.7° |
| C72 | C70 | CL71 | C69 | 178.2° | 180.0° |
| C72 | C70 | C69 | C68 | 1.3° | 0.0° |
| C72 | C70 | C69 | H691 | 178.7° | 180.0° |
| C67 | C66 | C65 | N93 | 178.6° | 179.8° |
| C66 | C67 | C68 | C69 | 177.0° | 180.0° |
| C67 | C66 | C65 | C64 | 1.0° | 0.0° |
| C66 | C67 | C68 | H681 | 3.0° | 0.1° |
| C65 | C66 | C67 | C68 | 67.0° | 89.9° |
| C66 | C65 | N93 | C64 | 177.7° | 179.8° |
| C66 | C65 | C64 | C63 | 177.5° | 180.0° |
| C66 | C65 | C64 | H641 | 2.5° | 0.0° |
| C66 | C65 | N93 | H931 | 179.7° | 180.0° |
| C67 | C68 | C69 | C70 | 1.5° | 0.0° |
| C67 | C68 | C69 | H681 | 180.0° | 180.0° |
| C67 | C68 | C69 | H691 | 178.5° | 180.0° |
| CL71 | C70 | C69 | C68 | 176.9° | 180.0° |
| CL71 | C70 | C69 | H691 | 3.1° | 0.0° |
| CL71 | C70 | C72 | H721 | 2.4° | 0.0° |
| C70 | C69 | C68 | H691 | 180.0° | 180.0° |
| C70 | C69 | C68 | H681 | 178.5° | 180.0° |
| C69 | C70 | C72 | H721 | 179.4° | 179.9° |
| N93 | C65 | C64 | C63 | 0.2° | 0.3° |
| N93 | C65 | C64 | H641 | 179.7° | 179.7° |
| C65 | N93 | C92 | H921 | 179.4° | 179.8° |
| C65 | C64 | C63 | H641 | 180.0° | 179.9° |
| C65 | C64 | C63 | C62 | 175.5° | 180.0° |
| C65 | C64 | C63 | H631 | 4.5° | 0.1° |
| C64 | C65 | N93 | H931 | 2.0° | 0.2° |
| C64 | C63 | C62 | H631 | 180.0° | 180.0° |
| C64 | C63 | C62 | O94 | 9.5° | 0.0° |
| C64 | C63 | C62 | N61 | 172.1° | 180.0° |
| C63 | C62 | O94 | N61 | 178.2° | 180.0° |
| C63 | C62 | N61 | C60 | 175.4° | 180.0° |
| C62 | C63 | C64 | H641 | 4.5° | 0.0° |
| C63 | C62 | N61 | H611 | 4.6° | 0.0° |
| O94 | C62 | N61 | C60 | 3.1° | 0.0° |
| O94 | C62 | C63 | H631 | 170.5° | 180.0° |
| O94 | C62 | N61 | H611 | 176.9° | 180.0° |
| C62 | N61 | C60 | H611 | 180.0° | 180.0° |
| C62 | N61 | C60 | C59 | 105.1° | 180.0° |
| C62 | N61 | C60 | H602 | 134.7° | 60.0° |
| C62 | N61 | C60 | H601 | 15.2° | 60.0° |
| N61 | C62 | C63 | H631 | 7.9° | 0.0° |
| N61 | C60 | C59 | H602 | 120.2° | 120.0° |
| N61 | C60 | C59 | H601 | 120.2° | 120.0° |
| N61 | C60 | C59 | O58 | 61.5° | 65.0° |
| N61 | C60 | C59 | H591 | 58.4° | 175.0° |
| N61 | C60 | C59 | H592 | 178.5° | 55.0° |
| N61 | C60 | H602 | H601 | 119.3° | 120.0° |
| C60 | C59 | O58 | H591 | 119.9° | 120.0° |
| C60 | C59 | O58 | H592 | 119.9° | 120.0° |
| C60 | C59 | O58 | C57 | 168.9° | 180.0° |
| C60 | C59 | H591 | H592 | 120.1° | 120.0° |
| C59 | C60 | H602 | H601 | 119.3° | 120.0° |
| C59 | C60 | N61 | H611 | 74.9° | 0.0° |
| C59 | O58 | C57 | C56 | 63.9° | 180.0° |
| C59 | O58 | C57 | H572 | 175.5° | 60.0° |
| C59 | O58 | C57 | H571 | 56.6° | 60.0° |
| O58 | C59 | H591 | H592 | 120.1° | 120.0° |
| O58 | C59 | C60 | H602 | 178.2° | 175.0° |
| O58 | C59 | C60 | H601 | 58.7° | 55.0° |
| O58 | C57 | C56 | H572 | 120.6° | 120.0° |
| O58 | C57 | C56 | H571 | 120.6° | 120.0° |
| O58 | C57 | C56 | O55 | 41.3° | 65.0° |
| O58 | C57 | C56 | H561 | 161.7° | 175.0° |
| O58 | C57 | C56 | H562 | 79.0° | 55.0° |
| O58 | C57 | H572 | H571 | 118.2° | 120.1° |
| C57 | O58 | C59 | H591 | 71.1° | 60.0° |
| C57 | O58 | C59 | H592 | 49.0° | 60.0° |
| O52 | C51 | C50 | H512 | 120.6° | 120.0° |
| O52 | C51 | C50 | H511 | 120.7° | 120.0° |
| O52 | C51 | C50 | O49 | 165.1° | 65.0° |
| C51 | O52 | C53 | C54 | 173.9° | 180.0° |
| O52 | C51 | C50 | H501 | 74.6° | 175.0° |
| O52 | C51 | C50 | H502 | 44.7° | 55.0° |
| O52 | C51 | H512 | H511 | 117.9° | 120.0° |
| C51 | O52 | C53 | H532 | 66.0° | 60.0° |
| C51 | O52 | C53 | H531 | 53.7° | 60.0° |
| C50 | C51 | O52 | C53 | 66.6° | 180.0° |
| C51 | C50 | O49 | H501 | 120.3° | 120.0° |
| C51 | C50 | O49 | H502 | 120.4° | 120.0° |
| C51 | C50 | O49 | C48 | 165.7° | 180.0° |
| C51 | C50 | H501 | H502 | 118.9° | 120.0° |
| C50 | C51 | H512 | H511 | 118.0° | 120.0° |
| O52 | C53 | C54 | H532 | 120.1° | 120.0° |
| O52 | C53 | C54 | H531 | 120.1° | 120.0° |
| O52 | C53 | C54 | O55 | 72.6° | 65.0° |
| C53 | O52 | C51 | H512 | 172.7° | 60.0° |
| C53 | O52 | C51 | H511 | 54.1° | 60.0° |
| O52 | C53 | H532 | H531 | 119.7° | 120.1° |
| O52 | C53 | C54 | H542 | 167.5° | 175.0° |
| O52 | C53 | C54 | H541 | 47.4° | 55.0° |
| C57 | C56 | O55 | C54 | 75.7° | 180.0° |
| C57 | C56 | O55 | H561 | 120.4° | 120.0° |
| C57 | C56 | O55 | H562 | 120.4° | 120.0° |
| C57 | C56 | H561 | H562 | 118.8° | 120.0° |
| C56 | C57 | H572 | H571 | 118.2° | 119.9° |
| C50 | O49 | C48 | C47 | 169.9° | 180.0° |
| C50 | O49 | C48 | H482 | 69.8° | 60.0° |
| C50 | O49 | C48 | H481 | 49.6° | 60.0° |
| O49 | C50 | H501 | H502 | 118.9° | 120.0° |
| O49 | C50 | C51 | H512 | 44.4° | 175.0° |
| O49 | C50 | C51 | H511 | 74.3° | 55.0° |
| O49 | C48 | C47 | H482 | 120.3° | 120.0° |
| O49 | C48 | C47 | H481 | 120.3° | 119.9° |
| O49 | C48 | C47 | O46 | 157.7° | 65.0° |
| O49 | C48 | C47 | H472 | 81.9° | 175.0° |
| O49 | C48 | C47 | H471 | 37.3° | 55.1° |
| O49 | C48 | H482 | H481 | 119.0° | 120.0° |
| C48 | O49 | C50 | H501 | 45.3° | 60.0° |
| C48 | O49 | C50 | H502 | 73.9° | 60.0° |
| C53 | C54 | O55 | H542 | 120.0° | 120.0° |
| C53 | C54 | O55 | H541 | 120.0° | 120.0° |
| C53 | C54 | O55 | C56 | 176.8° | 180.0° |
| C54 | C53 | H532 | H531 | 119.7° | 120.0° |
| C53 | C54 | H542 | H541 | 120.1° | 120.0° |
| O55 | C54 | C53 | H532 | 47.5° | 175.0° |
| O55 | C54 | C53 | H531 | 167.3° | 55.0° |
| O55 | C54 | H542 | H541 | 120.1° | 120.0° |
| C54 | O55 | C56 | H561 | 44.7° | 60.0° |
| C54 | O55 | C56 | H562 | 163.9° | 60.0° |
| C56 | O55 | C54 | H542 | 56.9° | 60.0° |
| C56 | O55 | C54 | H541 | 63.2° | 60.0° |
| O55 | C56 | H561 | H562 | 118.9° | 120.0° |
| O55 | C56 | C57 | H572 | 79.2° | 175.0° |
| O55 | C56 | C57 | H571 | 161.9° | 55.0° |
| C48 | C47 | O46 | H472 | 120.4° | 120.0° |
| C48 | C47 | O46 | H471 | 120.4° | 120.0° |
| C48 | C47 | O46 | C45 | 61.9° | 180.0° |
| C48 | C47 | H472 | H471 | 118.8° | 119.9° |
| C47 | C48 | H482 | H481 | 119.0° | 120.0° |
| C47 | O46 | C45 | C44 | 176.7° | 180.0° |
| C47 | O46 | C45 | H452 | 63.3° | 60.1° |
| C47 | O46 | C45 | H451 | 56.7° | 60.0° |
| O46 | C47 | H472 | H471 | 118.8° | 120.1° |
| O46 | C47 | C48 | H482 | 37.4° | 175.0° |
| O46 | C47 | C48 | H481 | 82.0° | 55.0° |
| O46 | C45 | C44 | H452 | 120.0° | 119.9° |
| O46 | C45 | C44 | H451 | 120.0° | 120.0° |
| O46 | C45 | C44 | O43 | 49.6° | 65.0° |
| O46 | C45 | C44 | H441 | 170.2° | 174.9° |
| O46 | C45 | C44 | H442 | 70.9° | 55.0° |
| O46 | C45 | H452 | H451 | 120.0° | 120.0° |
| C45 | O46 | C47 | H472 | 58.5° | 60.0° |
| C45 | O46 | C47 | H471 | 177.7° | 60.1° |
| C45 | C44 | O43 | H441 | 120.6° | 120.0° |
| C45 | C44 | O43 | H442 | 120.5° | 120.0° |
| C45 | C44 | O43 | C42 | 65.3° | 180.0° |
| C45 | C44 | H441 | H442 | 118.3° | 120.0° |
| C44 | C45 | H452 | H451 | 120.0° | 120.0° |
| C44 | O43 | C42 | C41 | 77.1° | 180.0° |
| C44 | O43 | C42 | H421 | 162.4° | 60.0° |
| C44 | O43 | C42 | H422 | 43.4° | 60.0° |
| O43 | C44 | H441 | H442 | 118.4° | 120.0° |
| O43 | C44 | C45 | H452 | 70.4° | 175.0° |
| O43 | C44 | C45 | H451 | 169.6° | 55.0° |
| O43 | C42 | C41 | H421 | 120.5° | 120.1° |
| O43 | C42 | C41 | H422 | 120.5° | 120.0° |
| O43 | C42 | C41 | O40 | 87.8° | 65.0° |
| O43 | C42 | C41 | H412 | 32.4° | 175.0° |
| O43 | C42 | C41 | H411 | 151.9° | 55.0° |
| O43 | C42 | H421 | H422 | 118.5° | 120.1° |
| C42 | O43 | C44 | H441 | 55.3° | 60.0° |
| C42 | O43 | C44 | H442 | 174.2° | 60.0° |
| C42 | C41 | O40 | H412 | 120.2° | 120.1° |
| C42 | C41 | O40 | H411 | 120.2° | 120.0° |
| C42 | C41 | O40 | C39 | 161.2° | 180.0° |
| C42 | C41 | H412 | H411 | 119.3° | 120.0° |
| C41 | C42 | H421 | H422 | 118.5° | 119.9° |
| C41 | O40 | C39 | C38 | 170.2° | 180.0° |
| C41 | O40 | C39 | H391 | 50.4° | 60.0° |
| C41 | O40 | C39 | H392 | 69.9° | 60.0° |
| O40 | C41 | H412 | H411 | 119.3° | 120.0° |
| O40 | C41 | C42 | H421 | 151.7° | 175.0° |
| O40 | C41 | C42 | H422 | 32.7° | 55.0° |
| O40 | C39 | C38 | H391 | 119.9° | 120.0° |
| O40 | C39 | C38 | H392 | 119.8° | 120.0° |
| O40 | C39 | C38 | O37 | 167.1° | 65.0° |
| O40 | C39 | C38 | H382 | 46.5° | 175.0° |
| O40 | C39 | C38 | H381 | 72.3° | 55.0° |
| O40 | C39 | H391 | H392 | 120.5° | 120.0° |
| C39 | O40 | C41 | H412 | 78.6° | 59.9° |
| C39 | O40 | C41 | H411 | 40.9° | 60.0° |
| C39 | C38 | O37 | H382 | 120.6° | 120.0° |
| C39 | C38 | O37 | H381 | 120.6° | 120.1° |
| C39 | C38 | O37 | C36 | 71.1° | 180.0° |
| C39 | C38 | H382 | H381 | 118.2° | 120.1° |
| C38 | C39 | H391 | H392 | 120.5° | 120.0° |
| C38 | O37 | C36 | C35 | 71.2° | 180.0° |
| C38 | O37 | C36 | H361 | 49.4° | 60.0° |
| C38 | O37 | C36 | H362 | 168.2° | 60.0° |
| O37 | C38 | H382 | H381 | 118.2° | 120.0° |
| O37 | C38 | C39 | H391 | 73.0° | 175.0° |
| O37 | C38 | C39 | H392 | 47.3° | 54.9° |
| O37 | C36 | C35 | H361 | 120.6° | 120.0° |
| O37 | C36 | C35 | H362 | 120.6° | 120.0° |
| O37 | C36 | C35 | O34 | 141.6° | 65.0° |
| O37 | C36 | C35 | H351 | 98.0° | 175.0° |
| O37 | C36 | C35 | H352 | 21.2° | 55.0° |
| O37 | C36 | H361 | H362 | 118.2° | 120.0° |
| C36 | O37 | C38 | H382 | 168.3° | 60.0° |
| C36 | O37 | C38 | H381 | 49.5° | 60.0° |
| O31 | C32 | C33 | H322 | 119.8° | 120.1° |
| O31 | C32 | C33 | H321 | 119.8° | 120.0° |
| C32 | O31 | C30 | C29 | 178.1° | 180.0° |
| O31 | C32 | C33 | O34 | 67.0° | 65.0° |
| C32 | O31 | C30 | H302 | 58.4° | 60.0° |
| C32 | O31 | C30 | H301 | 62.1° | 60.0° |
| O31 | C32 | H322 | H321 | 120.5° | 119.9° |
| O31 | C32 | C33 | H331 | 54.1° | 175.0° |
| O31 | C32 | C33 | H332 | 172.0° | 55.0° |
| C33 | C32 | O31 | C30 | 174.0° | 180.0° |
| C32 | C33 | O34 | H331 | 121.1° | 120.0° |
| C32 | C33 | O34 | H332 | 121.1° | 120.0° |
| C32 | C33 | O34 | C35 | 70.4° | 180.0° |
| C33 | C32 | H322 | H321 | 120.5° | 120.0° |
| C32 | C33 | H331 | H332 | 116.7° | 119.9° |
| O31 | C30 | C29 | H302 | 119.7° | 120.0° |
| O31 | C30 | C29 | H301 | 119.8° | 120.0° |
| O31 | C30 | C29 | O28 | 53.3° | 65.0° |
| O31 | C30 | C29 | H291 | 173.5° | 175.0° |
| O31 | C30 | C29 | H292 | 67.0° | 55.0° |
| O31 | C30 | H302 | H301 | 120.7° | 120.0° |
| C30 | O31 | C32 | H322 | 54.2° | 59.9° |
| C30 | O31 | C32 | H321 | 66.1° | 60.0° |
| C30 | C29 | O28 | H291 | 120.3° | 120.0° |
| C30 | C29 | O28 | H292 | 120.2° | 120.0° |
| C30 | C29 | O28 | C27 | 78.8° | 180.0° |
| C30 | C29 | H291 | H292 | 119.2° | 120.0° |
| C29 | C30 | H302 | H301 | 120.7° | 120.0° |
| C36 | C35 | O34 | C33 | 73.7° | 180.0° |
| C36 | C35 | O34 | H351 | 120.4° | 120.0° |
| C36 | C35 | O34 | H352 | 120.4° | 120.0° |
| C36 | C35 | H351 | H352 | 118.7° | 120.0° |
| C35 | C36 | H361 | H362 | 118.2° | 120.0° |
| O34 | C33 | C32 | H322 | 173.2° | 175.0° |
| O34 | C33 | C32 | H321 | 52.9° | 55.0° |
| O34 | C33 | H331 | H332 | 116.7° | 120.1° |
| C33 | O34 | C35 | H351 | 165.9° | 60.0° |
| C33 | O34 | C35 | H352 | 46.7° | 60.0° |
| C29 | O28 | C27 | C26 | 161.4° | 180.0° |
| C29 | O28 | C27 | H272 | 41.3° | 59.9° |
| C29 | O28 | C27 | H271 | 78.5° | 60.0° |
| O28 | C29 | H291 | H292 | 119.2° | 120.0° |
| O28 | C29 | C30 | H302 | 66.5° | 175.0° |
| O28 | C29 | C30 | H301 | 173.0° | 55.0° |
| C35 | O34 | C33 | H331 | 168.5° | 60.0° |
| C35 | O34 | C33 | H332 | 50.6° | 60.0° |
| O34 | C35 | H351 | H352 | 118.8° | 120.0° |
| O34 | C35 | C36 | H361 | 21.0° | 175.0° |
| O34 | C35 | C36 | H362 | 97.8° | 55.0° |
| O28 | C27 | C26 | H272 | 120.1° | 120.1° |
| O28 | C27 | C26 | H271 | 120.0° | 119.9° |
| O28 | C27 | C26 | N25 | 50.7° | 64.9° |
| O28 | C27 | C26 | H261 | 69.7° | 175.0° |
| O28 | C27 | C26 | H262 | 171.2° | 55.1° |
| O28 | C27 | H272 | H271 | 119.8° | 120.0° |
| C27 | O28 | C29 | H291 | 41.4° | 60.0° |
| C27 | O28 | C29 | H292 | 160.9° | 59.9° |
| C27 | C26 | N25 | H261 | 120.4° | 120.0° |
| C27 | C26 | N25 | H262 | 120.5° | 120.0° |
| C27 | C26 | N25 | C23 | 113.5° | 180.0° |
| C27 | C26 | H261 | H262 | 118.7° | 119.9° |
| C26 | C27 | H272 | H271 | 119.9° | 120.0° |
| C27 | C26 | N25 | H251 | 66.5° | 0.1° |
| C26 | N25 | C23 | H251 | 180.0° | 179.9° |
| C26 | N25 | C23 | O24 | 2.7° | 0.1° |
| C26 | N25 | C23 | C22 | 175.4° | 180.0° |
| N25 | C26 | H261 | H262 | 118.6° | 120.0° |
| N25 | C26 | C27 | H272 | 170.8° | 175.0° |
| N25 | C26 | C27 | H271 | 69.3° | 55.0° |
| N25 | C23 | O24 | C22 | 177.9° | 179.9° |
| N25 | C23 | C22 | C21 | 176.3° | 179.9° |
| N25 | C23 | C22 | H221 | 3.7° | 0.1° |
| C23 | N25 | C26 | H261 | 7.0° | 59.9° |
| C23 | N25 | C26 | H262 | 126.1° | 60.1° |
| O24 | C23 | C22 | C21 | 5.5° | 0.0° |
| O24 | C23 | C22 | H221 | 174.5° | 180.0° |
| O24 | C23 | N25 | H251 | 177.3° | 180.0° |
| C23 | C22 | C21 | H221 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 177.4° | 180.0° |
| C23 | C22 | C21 | H211 | 2.6° | 0.0° |
| C22 | C23 | N25 | H251 | 4.6° | 0.1° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C22 | C21 | C20 | N19 | 11.3° | 0.0° |
| C22 | C21 | C20 | C95 | 168.3° | 179.5° |
| C21 | C20 | N19 | C95 | 179.7° | 179.6° |
| C21 | C20 | N19 | C18 | 179.3° | 180.0° |
| C21 | C20 | C95 | C96 | 1.2° | 0.5° |
| C21 | C20 | C95 | C01 | 179.3° | 179.8° |
| C20 | C21 | C22 | H221 | 2.6° | 0.0° |
| C21 | C20 | N19 | H191 | 0.7° | 0.4° |
| C97 | C98 | C99 | H981 | 180.0° | 179.9° |
| C98 | C97 | C96 | H971 | 180.0° | 180.0° |
| C97 | C98 | C99 | CLA0 | 178.7° | 180.0° |
| C97 | C98 | C99 | CA1 | 0.0° | 0.0° |
| C98 | C97 | C96 | C95 | 178.1° | 180.0° |
| C98 | C97 | C96 | CA2 | 0.5° | 0.2° |
| C99 | C98 | C97 | C96 | 0.6° | 0.1° |
| C98 | C99 | CLA0 | CA1 | 178.8° | 180.0° |
| C98 | C99 | CA1 | CA2 | 0.7° | 0.2° |
| C99 | C98 | C97 | H971 | 179.4° | 180.0° |
| C98 | C99 | CA1 | HA11 | 179.3° | 180.0° |
| C20 | N19 | C18 | H191 | 180.0° | 179.6° |
| N19 | C20 | C95 | C96 | 178.5° | 180.0° |
| N19 | C20 | C95 | C01 | 1.0° | 0.3° |
| C20 | N19 | C18 | C01 | 0.7° | 0.5° |
| C20 | N19 | C18 | H181 | 179.3° | 179.9° |
| N19 | C20 | C21 | H211 | 168.7° | 180.0° |
| C20 | C95 | C96 | C97 | 69.4° | 90.2° |
| C95 | C20 | N19 | C18 | 1.0° | 0.5° |
| C20 | C95 | C96 | C01 | 179.4° | 179.6° |
| C20 | C95 | C96 | CA2 | 108.2° | 90.0° |
| C20 | C95 | C01 | C18 | 0.7° | 0.0° |
| C20 | C95 | C01 | C02 | 175.9° | 180.0° |
| C95 | C20 | C21 | H211 | 11.7° | 0.5° |
| C95 | C20 | N19 | H191 | 179.0° | 180.0° |
| C97 | C96 | C95 | CA2 | 177.6° | 179.8° |
| C97 | C96 | C95 | C01 | 110.1° | 89.4° |
| C97 | C96 | CA2 | CA1 | 0.1° | 0.4° |
| C97 | C96 | CA2 | FA3 | 179.9° | 179.8° |
| C96 | C97 | C98 | H981 | 179.4° | 180.0° |
| CLA0 | C99 | CA1 | CA2 | 178.1° | 179.7° |
| CLA0 | C99 | C98 | H981 | 1.2° | 0.1° |
| CLA0 | C99 | CA1 | HA11 | 1.9° | 0.0° |
| N19 | C18 | C01 | C95 | 0.0° | 0.3° |
| N19 | C18 | C01 | H181 | 180.0° | 179.7° |
| N19 | C18 | C01 | C02 | 175.1° | 179.7° |
| C99 | CA1 | CA2 | C96 | 0.7° | 0.5° |
| C99 | CA1 | CA2 | HA11 | 180.0° | 179.7° |
| C99 | CA1 | CA2 | FA3 | 179.5° | 179.7° |
| CA1 | C99 | C98 | H981 | 180.0° | 179.9° |
| C95 | C96 | CA2 | CA1 | 177.5° | 179.7° |
| C95 | C96 | CA2 | FA3 | 2.3° | 0.1° |
| C96 | C95 | C01 | C18 | 178.8° | 179.7° |
| C96 | C95 | C01 | C02 | 3.6° | 0.3° |
| C95 | C96 | C97 | H971 | 1.9° | 0.0° |
| CA2 | C96 | C95 | C01 | 72.4° | 90.4° |
| C96 | CA2 | CA1 | FA3 | 179.8° | 179.8° |
| CA2 | C96 | C97 | H971 | 179.5° | 179.8° |
| C96 | CA2 | CA1 | HA11 | 179.3° | 179.8° |
| C95 | C01 | C18 | C02 | 175.1° | 180.0° |
| C95 | C01 | C02 | O17 | 12.2° | 0.0° |
| C95 | C01 | C02 | N03 | 169.3° | 180.0° |
| C95 | C01 | C18 | H181 | 180.0° | 179.9° |
| FA3 | CA2 | CA1 | HA11 | 0.5° | 0.0° |
| C18 | C01 | C02 | O17 | 161.9° | 180.0° |
| C18 | C01 | C02 | N03 | 16.6° | 0.0° |
| C01 | C18 | N19 | H191 | 179.4° | 180.0° |
| C01 | C02 | O17 | N03 | 178.4° | 180.0° |
| C01 | C02 | N03 | C04 | 172.8° | 175.0° |
| C02 | C01 | C18 | H181 | 4.9° | 0.1° |
| C01 | C02 | N03 | H031 | 7.2° | 5.0° |
| O17 | C02 | N03 | C04 | 5.7° | 5.0° |
| O17 | C02 | N03 | H031 | 174.3° | 175.0° |
| C02 | N03 | C04 | H031 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 78.6° | 151.4° |
| C02 | N03 | C04 | C05 | 157.0° | 88.6° |
| C02 | N03 | C04 | H041 | 39.4° | 31.4° |
| CL15 | C14 | C16 | C12 | 177.7° | 179.6° |
| CL15 | C14 | C16 | C09 | 177.7° | 179.7° |
| CL15 | C14 | C12 | F13 | 0.3° | 0.0° |
| CL15 | C14 | C12 | C11 | 179.2° | 180.0° |
| CL15 | C14 | C16 | H161 | 2.3° | 0.5° |
| N03 | C04 | C09 | C16 | 25.6° | 40.0° |
| N03 | C04 | C09 | C05 | 127.3° | 120.0° |
| N03 | C04 | C09 | H041 | 118.4° | 120.0° |
| N03 | C04 | C05 | H041 | 118.1° | 120.0° |
| N03 | C04 | C09 | C10 | 157.2° | 140.0° |
| N03 | C04 | C05 | C06 | 51.6° | 173.1° |
| N03 | C04 | C05 | H051 | 69.3° | 53.0° |
| N03 | C04 | C05 | H052 | 172.6° | 67.0° |
| C14 | C16 | C09 | H161 | 180.0° | 179.2° |
| C14 | C16 | C09 | C04 | 175.0° | 179.5° |
| C14 | C16 | C09 | C10 | 2.2° | 0.5° |
| C16 | C14 | C12 | F13 | 177.3° | 179.5° |
| C16 | C14 | C12 | C11 | 1.5° | 0.4° |
| C09 | C16 | C14 | C12 | 0.0° | 0.7° |
| C16 | C09 | C04 | C10 | 177.2° | 180.0° |
| C16 | C09 | C04 | C05 | 101.7° | 80.0° |
| C16 | C09 | C10 | C11 | 3.0° | 0.0° |
| C16 | C09 | C10 | H101 | 177.0° | 179.7° |
| C16 | C09 | C04 | H041 | 144.0° | 160.0° |
| C14 | C12 | F13 | C11 | 178.9° | 180.0° |
| C14 | C12 | C11 | C10 | 0.8° | 0.0° |
| C14 | C12 | C11 | H111 | 179.2° | 180.0° |
| C12 | C14 | C16 | H161 | 180.0° | 180.0° |
| C09 | C04 | C05 | H041 | 114.4° | 120.0° |
| C04 | C09 | C10 | C11 | 174.3° | 180.0° |
| C09 | C04 | C05 | C06 | 179.2° | 67.0° |
| C04 | C09 | C10 | H101 | 5.7° | 0.2° |
| C09 | C04 | C05 | H051 | 58.3° | 173.0° |
| C09 | C04 | C05 | H052 | 59.9° | 53.0° |
| C04 | C09 | C16 | H161 | 5.0° | 0.3° |
| C09 | C04 | N03 | H031 | 101.3° | 28.6° |
| C05 | C04 | C09 | C10 | 75.5° | 100.0° |
| C04 | C05 | C06 | N07 | 110.7° | 177.7° |
| C04 | C05 | C06 | H051 | 121.0° | 120.0° |
| C04 | C05 | C06 | H052 | 120.9° | 119.9° |
| C04 | C05 | C06 | O08 | 69.9° | 2.3° |
| C04 | C05 | H051 | H052 | 117.0° | 120.0° |
| C05 | C04 | N03 | H031 | 23.1° | 91.4° |
| C09 | C10 | C11 | C12 | 1.5° | 0.3° |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C09 | C10 | C11 | H111 | 178.6° | 179.8° |
| C10 | C09 | C04 | H041 | 38.8° | 20.0° |
| C10 | C09 | C16 | H161 | 177.8° | 179.8° |
| F13 | C12 | C11 | C10 | 178.1° | 180.0° |
| F13 | C12 | C11 | H111 | 1.9° | 0.0° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | H101 | 178.5° | 180.0° |
| N07 | C06 | C05 | O08 | 179.4° | 180.0° |
| N07 | C06 | C05 | H051 | 10.2° | 57.7° |
| N07 | C06 | C05 | H052 | 128.3° | 62.4° |
| C06 | N07 | H072 | H071 | 179.9° | 180.0° |
| C06 | C05 | C04 | H041 | 66.4° | 53.1° |
| C06 | C05 | H051 | H052 | 117.0° | 120.0° |
| C05 | C06 | N07 | H072 | 179.4° | 0.1° |
| C05 | C06 | N07 | H071 | 0.6° | 180.0° |
| O08 | C06 | C05 | H051 | 169.2° | 122.3° |
| O08 | C06 | C05 | H052 | 51.1° | 117.7° |
| O08 | C06 | N07 | H072 | 0.0° | 180.0° |
| O08 | C06 | N07 | H071 | 180.0° | 0.0° |
| H101 | C10 | C11 | H111 | 1.5° | 0.1° |
| H181 | C18 | N19 | H191 | 0.7° | 0.3° |
| H211 | C21 | C22 | H221 | 177.4° | 179.9° |
| H041 | C04 | C05 | H051 | 172.6° | 66.9° |
| H041 | C04 | C05 | H052 | 54.5° | 173.0° |
| H041 | C04 | N03 | H031 | 140.6° | 148.6° |
| H261 | C26 | C27 | H272 | 50.4° | 54.9° |
| H261 | C26 | C27 | H271 | 170.3° | 65.1° |
| H261 | C26 | N25 | H251 | 173.0° | 119.9° |
| H262 | C26 | C27 | H272 | 68.8° | 65.0° |
| H262 | C26 | C27 | H271 | 51.1° | 175.0° |
| H262 | C26 | N25 | H251 | 53.9° | 120.1° |
| H291 | C29 | C30 | H302 | 53.8° | 54.9° |
| H291 | C29 | C30 | H301 | 66.7° | 65.0° |
| H292 | C29 | C30 | H302 | 173.3° | 65.0° |
| H292 | C29 | C30 | H301 | 52.7° | 175.0° |
| H322 | C32 | C33 | H331 | 65.7° | 55.0° |
| H322 | C32 | C33 | H332 | 52.2° | 65.0° |
| H321 | C32 | C33 | H331 | 173.9° | 65.0° |
| H321 | C32 | C33 | H332 | 68.2° | 175.0° |
| H351 | C35 | C36 | H361 | 141.4° | 55.0° |
| H351 | C35 | C36 | H362 | 22.6° | 65.0° |
| H352 | C35 | C36 | H361 | 99.5° | 65.0° |
| H352 | C35 | C36 | H362 | 141.7° | 175.0° |
| H382 | C38 | C39 | H391 | 166.4° | 55.0° |
| H382 | C38 | C39 | H392 | 73.3° | 65.0° |
| H381 | C38 | C39 | H391 | 47.6° | 65.0° |
| H381 | C38 | C39 | H392 | 167.9° | 175.0° |
| H412 | C41 | C42 | H421 | 88.1° | 54.9° |
| H412 | C41 | C42 | H422 | 152.9° | 65.0° |
| H411 | C41 | C42 | H421 | 31.5° | 65.0° |
| H411 | C41 | C42 | H422 | 87.5° | 175.1° |
| H441 | C44 | C45 | H452 | 50.2° | 55.0° |
| H441 | C44 | C45 | H451 | 69.8° | 65.0° |
| H442 | C44 | C45 | H452 | 169.1° | 65.0° |
| H442 | C44 | C45 | H451 | 49.1° | 175.0° |
| H472 | C47 | C48 | H482 | 157.8° | 55.0° |
| H472 | C47 | C48 | H481 | 38.4° | 65.0° |
| H471 | C47 | C48 | H482 | 83.0° | 65.0° |
| H471 | C47 | C48 | H481 | 157.6° | 175.0° |
| H501 | C50 | C51 | H512 | 164.8° | 55.0° |
| H501 | C50 | C51 | H511 | 46.1° | 65.0° |
| H502 | C50 | C51 | H512 | 76.0° | 65.0° |
| H502 | C50 | C51 | H511 | 165.4° | 175.0° |
| H532 | C53 | C54 | H542 | 72.4° | 55.0° |
| H532 | C53 | C54 | H541 | 167.5° | 65.0° |
| H531 | C53 | C54 | H542 | 47.3° | 65.0° |
| H531 | C53 | C54 | H541 | 72.7° | 175.0° |
| H561 | C56 | C57 | H572 | 41.1° | 54.9° |
| H561 | C56 | C57 | H571 | 77.7° | 65.0° |
| H562 | C56 | C57 | H572 | 160.4° | 65.1° |
| H562 | C56 | C57 | H571 | 41.5° | 175.0° |
| H591 | C59 | C60 | H602 | 61.8° | 55.0° |
| H591 | C59 | C60 | H601 | 178.6° | 64.9° |
| H592 | C59 | C60 | H602 | 58.3° | 65.0° |
| H592 | C59 | C60 | H601 | 61.2° | 175.0° |
| H602 | C60 | N61 | H611 | 45.3° | 120.1° |
| H601 | C60 | N61 | H611 | 164.8° | 120.0° |
| H631 | C63 | C64 | H641 | 175.5° | 180.0° |
| H681 | C68 | C69 | H691 | 1.5° | 0.0° |
| H781 | C78 | C79 | H792 | 59.5° | 66.4° |
| H781 | C78 | C79 | H791 | 177.8° | 173.6° |
| H781 | C78 | N77 | H771 | 143.4° | 148.5° |
| H841 | C84 | C85 | H851 | 1.2° | 0.1° |
| H921 | C92 | N93 | H931 | 0.6° | 0.1° |
| H971 | C97 | C98 | H981 | 0.6° | 0.1° |
