A1C26
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F72 | C71 | sing | 1.35Å | 1.36Å | |
| C71 | C73 | doub | 1.38Å | 1.41Å | Aromatic |
| C71 | C69 | sing | 1.39Å | 1.41Å | Aromatic |
| C73 | C74 | sing | 1.38Å | 1.41Å | Aromatic |
| CL70 | C69 | sing | 1.73Å | 1.72Å | |
| C69 | C68 | doub | 1.38Å | 1.41Å | Aromatic |
| C74 | C67 | doub | 1.38Å | 1.41Å | Aromatic |
| C68 | C67 | sing | 1.38Å | 1.41Å | Aromatic |
| C67 | C66 | sing | 1.51Å | 1.53Å | |
| C75 | C66 | sing | 1.53Å | 1.54Å | |
| C75 | C76 | sing | 1.51Å | 1.53Å | |
| C66 | N65 | sing | 1.47Å | 1.46Å | |
| C76 | N78 | sing | 1.35Å | 1.33Å | |
| C76 | O77 | doub | 1.21Å | 1.23Å | |
| N65 | C63 | sing | 1.35Å | 1.34Å | |
| C63 | O64 | doub | 1.22Å | 1.24Å | |
| C63 | C62 | sing | 1.47Å | 1.49Å | |
| C61 | C62 | doub | 1.38Å | 1.37Å | Aromatic |
| C61 | N60 | sing | 1.34Å | 1.38Å | Aromatic |
| C62 | C79 | sing | 1.47Å | 1.43Å | Aromatic |
| N60 | C59 | sing | 1.38Å | 1.38Å | Aromatic |
| C79 | C80 | sing | 1.48Å | 1.47Å | |
| C79 | C59 | doub | 1.39Å | 1.37Å | Aromatic |
| C87 | C80 | doub | 1.40Å | 1.41Å | Aromatic |
| C87 | C86 | sing | 1.38Å | 1.41Å | Aromatic |
| C80 | C81 | sing | 1.40Å | 1.41Å | Aromatic |
| C86 | C84 | doub | 1.39Å | 1.41Å | Aromatic |
| C59 | C58 | sing | 1.41Å | 1.43Å | |
| C81 | F82 | sing | 1.35Å | 1.35Å | |
| C81 | C83 | doub | 1.38Å | 1.41Å | Aromatic |
| C84 | C83 | sing | 1.38Å | 1.40Å | Aromatic |
| C84 | CL85 | sing | 1.74Å | 1.72Å | |
| C58 | C57 | doub | 1.36Å | 1.35Å | |
| C57 | C55 | sing | 1.41Å | 1.45Å | |
| O56 | C55 | doub | 1.22Å | 1.23Å | |
| C55 | N54 | sing | 1.35Å | 1.34Å | |
| N54 | C53 | sing | 1.46Å | 1.46Å | |
| C53 | C52 | sing | 1.53Å | 1.53Å | |
| C52 | O51 | sing | 1.43Å | 1.43Å | |
| C50 | O51 | sing | 1.43Å | 1.43Å | |
| C50 | C49 | sing | 1.53Å | 1.54Å | |
| C49 | O48 | sing | 1.43Å | 1.43Å | |
| O48 | C47 | sing | 1.43Å | 1.44Å | |
| C47 | C46 | sing | 1.53Å | 1.54Å | |
| C46 | O45 | sing | 1.43Å | 1.42Å | |
| O45 | C44 | sing | 1.43Å | 1.42Å | |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| C43 | O42 | sing | 1.43Å | 1.43Å | |
| O42 | C41 | sing | 1.43Å | 1.43Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| C40 | O39 | sing | 1.43Å | 1.43Å | |
| O39 | C38 | sing | 1.43Å | 1.42Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | O36 | sing | 1.43Å | 1.42Å | |
| C35 | O36 | sing | 1.43Å | 1.42Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C34 | O33 | sing | 1.43Å | 1.42Å | |
| O33 | C32 | sing | 1.43Å | 1.42Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | O30 | sing | 1.43Å | 1.42Å | |
| O30 | C29 | sing | 1.43Å | 1.42Å | |
| C26 | O27 | sing | 1.43Å | 1.42Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| O27 | C28 | sing | 1.43Å | 1.42Å | |
| C25 | N24 | sing | 1.46Å | 1.45Å | |
| N24 | C23 | sing | 1.35Å | 1.34Å | |
| C23 | O88 | doub | 1.22Å | 1.23Å | |
| C23 | C22 | sing | 1.41Å | 1.45Å | |
| C22 | C21 | doub | 1.36Å | 1.34Å | |
| C21 | C20 | sing | 1.41Å | 1.43Å | |
| CL95 | C94 | sing | 1.74Å | 1.72Å | |
| C93 | C94 | doub | 1.38Å | 1.41Å | Aromatic |
| C93 | C91 | sing | 1.38Å | 1.41Å | Aromatic |
| F92 | C91 | sing | 1.35Å | 1.35Å | |
| C94 | C96 | sing | 1.38Å | 1.41Å | Aromatic |
| C91 | C90 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C89 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | N19 | sing | 1.38Å | 1.38Å | Aromatic |
| C96 | C97 | doub | 1.38Å | 1.41Å | Aromatic |
| C90 | C97 | sing | 1.40Å | 1.41Å | Aromatic |
| C90 | C89 | sing | 1.48Å | 1.47Å | |
| C89 | C01 | sing | 1.47Å | 1.43Å | Aromatic |
| N19 | C18 | sing | 1.34Å | 1.38Å | Aromatic |
| C01 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C01 | C02 | sing | 1.47Å | 1.48Å | |
| O03 | C02 | doub | 1.22Å | 1.24Å | |
| C02 | N04 | sing | 1.35Å | 1.34Å | |
| N17 | C15 | sing | 1.35Å | 1.33Å | |
| O16 | C15 | doub | 1.21Å | 1.23Å | |
| N04 | C05 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C05 | C14 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | C07 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | CL09 | sing | 1.74Å | 1.72Å | |
| C08 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | F11 | sing | 1.35Å | 1.36Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.08Å | 1.08Å | |
| C58 | H581 | sing | 1.08Å | 1.08Å | |
| C61 | H611 | sing | 1.08Å | 1.08Å | |
| C66 | H661 | sing | 1.09Å | 1.10Å | |
| C68 | H681 | sing | 1.08Å | 1.08Å | |
| C73 | H731 | sing | 1.08Å | 1.08Å | |
| C74 | H741 | sing | 1.08Å | 1.08Å | |
| C75 | H751 | sing | 1.09Å | 1.10Å | |
| C75 | H752 | sing | 1.09Å | 1.10Å | |
| C83 | H831 | sing | 1.08Å | 1.08Å | |
| C86 | H861 | sing | 1.08Å | 1.08Å | |
| C87 | H871 | sing | 1.08Å | 1.08Å | |
| C93 | H931 | sing | 1.08Å | 1.08Å | |
| C96 | H961 | sing | 1.08Å | 1.08Å | |
| C97 | H971 | sing | 1.08Å | 1.08Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N17 | H172 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N54 | H541 | sing | 0.97Å | 1.00Å | |
| N60 | H601 | sing | 0.97Å | 1.00Å | |
| N65 | H651 | sing | 0.97Å | 1.00Å | |
| N78 | H782 | sing | 0.97Å | 1.00Å | |
| N78 | H781 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F72 | C71 | C73 | 119.2° | 120.0° |
| F72 | C71 | C69 | 121.0° | 120.0° |
| C73 | C71 | C69 | 119.8° | 120.0° |
| C71 | C73 | C74 | 120.3° | 120.0° |
| C71 | C73 | H731 | 119.9° | 120.0° |
| C71 | C69 | CL70 | 120.8° | 120.0° |
| C71 | C69 | C68 | 119.8° | 119.9° |
| C73 | C74 | C67 | 120.3° | 120.0° |
| C74 | C73 | H731 | 119.9° | 120.0° |
| C73 | C74 | H741 | 119.9° | 120.0° |
| CL70 | C69 | C68 | 119.4° | 120.0° |
| C69 | C68 | C67 | 120.6° | 120.0° |
| C69 | C68 | H681 | 119.7° | 120.0° |
| C74 | C67 | C68 | 119.2° | 120.1° |
| C74 | C67 | C66 | 119.8° | 120.0° |
| C67 | C74 | H741 | 119.8° | 120.0° |
| C68 | C67 | C66 | 121.1° | 119.9° |
| C67 | C68 | H681 | 119.7° | 120.0° |
| C67 | C66 | C75 | 110.5° | 109.5° |
| C67 | C66 | N65 | 111.8° | 109.4° |
| C67 | C66 | H661 | 107.5° | 109.5° |
| C66 | C75 | C76 | 113.8° | 109.5° |
| C75 | C66 | N65 | 111.1° | 109.5° |
| C75 | C66 | H661 | 107.4° | 109.5° |
| C66 | C75 | H751 | 108.4° | 109.4° |
| C66 | C75 | H752 | 108.4° | 109.4° |
| C75 | C76 | N78 | 118.2° | 120.0° |
| C75 | C76 | O77 | 119.8° | 120.0° |
| C76 | C75 | H751 | 108.4° | 109.5° |
| C76 | C75 | H752 | 108.4° | 109.5° |
| C66 | N65 | C63 | 125.8° | 120.0° |
| N65 | C66 | H661 | 108.4° | 109.4° |
| C66 | N65 | H651 | 117.1° | 120.0° |
| N78 | C76 | O77 | 121.9° | 120.0° |
| C76 | N78 | H782 | 120.0° | 120.0° |
| C76 | N78 | H781 | 120.0° | 119.9° |
| N65 | C63 | O64 | 121.8° | 120.0° |
| N65 | C63 | C62 | 116.9° | 120.0° |
| C63 | N65 | H651 | 117.1° | 120.0° |
| O64 | C63 | C62 | 121.2° | 120.0° |
| C63 | C62 | C61 | 122.5° | 126.8° |
| C63 | C62 | C79 | 131.5° | 126.8° |
| C62 | C61 | N60 | 107.8° | 109.3° |
| C61 | C62 | C79 | 105.9° | 106.4° |
| C62 | C61 | H611 | 126.1° | 125.3° |
| C61 | N60 | C59 | 111.1° | 110.5° |
| N60 | C61 | H611 | 126.1° | 125.4° |
| C61 | N60 | H601 | 124.5° | 124.8° |
| C62 | C79 | C80 | 125.1° | 127.1° |
| C62 | C79 | C59 | 109.8° | 105.8° |
| N60 | C59 | C79 | 105.3° | 108.1° |
| N60 | C59 | C58 | 119.2° | 126.0° |
| C59 | N60 | H601 | 124.4° | 124.8° |
| C80 | C79 | C59 | 124.9° | 127.1° |
| C79 | C80 | C87 | 119.7° | 120.1° |
| C79 | C80 | C81 | 120.7° | 120.1° |
| C79 | C59 | C58 | 135.6° | 126.0° |
| C80 | C87 | C86 | 120.1° | 119.9° |
| C87 | C80 | C81 | 119.6° | 119.7° |
| C80 | C87 | H871 | 119.9° | 120.1° |
| C87 | C86 | C84 | 119.8° | 120.1° |
| C87 | C86 | H861 | 120.1° | 119.9° |
| C86 | C87 | H871 | 119.9° | 120.0° |
| C80 | C81 | F82 | 120.4° | 120.1° |
| C80 | C81 | C83 | 120.3° | 119.8° |
| C86 | C84 | C83 | 120.5° | 120.3° |
| C86 | C84 | CL85 | 119.0° | 119.8° |
| C84 | C86 | H861 | 120.1° | 120.0° |
| C59 | C58 | C57 | 129.6° | 119.9° |
| C59 | C58 | H581 | 115.2° | 120.0° |
| F82 | C81 | C83 | 119.3° | 120.1° |
| C81 | C83 | C84 | 119.7° | 120.1° |
| C81 | C83 | H831 | 120.2° | 120.0° |
| C83 | C84 | CL85 | 120.5° | 119.9° |
| C84 | C83 | H831 | 120.2° | 119.9° |
| C58 | C57 | C55 | 120.1° | 120.0° |
| C58 | C57 | H571 | 120.0° | 120.1° |
| C57 | C58 | H581 | 115.2° | 120.1° |
| C57 | C55 | O56 | 125.8° | 120.0° |
| C57 | C55 | N54 | 112.1° | 120.0° |
| C55 | C57 | H571 | 120.0° | 120.0° |
| O56 | C55 | N54 | 121.6° | 120.0° |
| C55 | N54 | C53 | 124.6° | 120.0° |
| C55 | N54 | H541 | 117.7° | 120.0° |
| N54 | C53 | C52 | 110.6° | 109.5° |
| N54 | C53 | H532 | 109.2° | 109.5° |
| N54 | C53 | H531 | 109.2° | 109.5° |
| C53 | N54 | H541 | 117.7° | 120.0° |
| C53 | C52 | O51 | 111.4° | 109.5° |
| C53 | C52 | H521 | 109.0° | 109.5° |
| C53 | C52 | H522 | 109.0° | 109.4° |
| C52 | C53 | H532 | 109.2° | 109.4° |
| C52 | C53 | H531 | 109.2° | 109.5° |
| C52 | O51 | C50 | 117.6° | 114.0° |
| O51 | C52 | H521 | 109.0° | 109.5° |
| O51 | C52 | H522 | 109.0° | 109.5° |
| O51 | C50 | C49 | 113.4° | 109.4° |
| O51 | C50 | H502 | 108.5° | 109.5° |
| O51 | C50 | H501 | 108.5° | 109.5° |
| C50 | C49 | O48 | 112.6° | 109.5° |
| C50 | C49 | H491 | 108.7° | 109.5° |
| C50 | C49 | H492 | 108.7° | 109.5° |
| C49 | C50 | H502 | 108.5° | 109.5° |
| C49 | C50 | H501 | 108.5° | 109.5° |
| C49 | O48 | C47 | 116.3° | 114.1° |
| O48 | C49 | H491 | 108.7° | 109.5° |
| O48 | C49 | H492 | 108.7° | 109.4° |
| O48 | C47 | C46 | 114.0° | 109.5° |
| O48 | C47 | H472 | 108.3° | 109.4° |
| O48 | C47 | H471 | 108.3° | 109.4° |
| C47 | C46 | O45 | 109.2° | 109.5° |
| C47 | C46 | H461 | 109.5° | 109.5° |
| C47 | C46 | H462 | 109.6° | 109.5° |
| C46 | C47 | H472 | 108.4° | 109.5° |
| C46 | C47 | H471 | 108.3° | 109.5° |
| C46 | O45 | C44 | 112.9° | 114.0° |
| O45 | C46 | H461 | 109.5° | 109.5° |
| O45 | C46 | H462 | 109.5° | 109.5° |
| O45 | C44 | C43 | 110.8° | 109.5° |
| O45 | C44 | H442 | 109.1° | 109.4° |
| O45 | C44 | H441 | 109.1° | 109.4° |
| C44 | C43 | O42 | 109.5° | 109.4° |
| C44 | C43 | H431 | 109.5° | 109.4° |
| C44 | C43 | H432 | 109.4° | 109.4° |
| C43 | C44 | H442 | 109.1° | 109.5° |
| C43 | C44 | H441 | 109.1° | 109.5° |
| C43 | O42 | C41 | 115.0° | 113.9° |
| O42 | C43 | H431 | 109.5° | 109.5° |
| O42 | C43 | H432 | 109.5° | 109.5° |
| O42 | C41 | C40 | 114.2° | 109.5° |
| O42 | C41 | H412 | 108.2° | 109.6° |
| O42 | C41 | H411 | 108.3° | 109.5° |
| C41 | C40 | O39 | 112.1° | 109.5° |
| C41 | C40 | H401 | 108.8° | 109.4° |
| C41 | C40 | H402 | 108.8° | 109.4° |
| C40 | C41 | H412 | 108.3° | 109.5° |
| C40 | C41 | H411 | 108.3° | 109.4° |
| C40 | O39 | C38 | 115.8° | 114.0° |
| O39 | C40 | H401 | 108.8° | 109.5° |
| O39 | C40 | H402 | 108.8° | 109.5° |
| O39 | C38 | C37 | 111.1° | 109.5° |
| O39 | C38 | H382 | 109.0° | 109.4° |
| O39 | C38 | H381 | 109.1° | 109.4° |
| C38 | C37 | O36 | 114.4° | 109.5° |
| C38 | C37 | H371 | 108.2° | 109.4° |
| C38 | C37 | H372 | 108.2° | 109.5° |
| C37 | C38 | H382 | 109.1° | 109.5° |
| C37 | C38 | H381 | 109.1° | 109.5° |
| C37 | O36 | C35 | 115.4° | 114.0° |
| O36 | C37 | H371 | 108.2° | 109.5° |
| O36 | C37 | H372 | 108.2° | 109.5° |
| O36 | C35 | C34 | 109.5° | 109.5° |
| O36 | C35 | H352 | 109.5° | 109.5° |
| O36 | C35 | H351 | 109.5° | 109.5° |
| C35 | C34 | O33 | 114.3° | 109.5° |
| C35 | C34 | H341 | 108.3° | 109.5° |
| C35 | C34 | H342 | 108.3° | 109.5° |
| C34 | C35 | H352 | 109.5° | 109.5° |
| C34 | C35 | H351 | 109.5° | 109.4° |
| C34 | O33 | C32 | 115.5° | 114.0° |
| O33 | C34 | H341 | 108.3° | 109.5° |
| O33 | C34 | H342 | 108.2° | 109.5° |
| O33 | C32 | C31 | 108.3° | 109.5° |
| O33 | C32 | H322 | 109.8° | 109.5° |
| O33 | C32 | H321 | 109.8° | 109.4° |
| C32 | C31 | O30 | 109.3° | 109.5° |
| C32 | C31 | H311 | 109.5° | 109.5° |
| C32 | C31 | H312 | 109.5° | 109.5° |
| C31 | C32 | H322 | 109.8° | 109.5° |
| C31 | C32 | H321 | 109.8° | 109.5° |
| C31 | O30 | C29 | 113.4° | 114.0° |
| O30 | C31 | H311 | 109.5° | 109.5° |
| O30 | C31 | H312 | 109.5° | 109.5° |
| O30 | C29 | C28 | 111.2° | 109.5° |
| O30 | C29 | H292 | 109.0° | 109.4° |
| O30 | C29 | H291 | 109.0° | 109.5° |
| O27 | C26 | C25 | 110.0° | 109.4° |
| C26 | O27 | C28 | 114.8° | 114.0° |
| O27 | C26 | H262 | 109.3° | 109.4° |
| O27 | C26 | H261 | 109.3° | 109.5° |
| C26 | C25 | N24 | 108.4° | 109.5° |
| C26 | C25 | H251 | 109.7° | 109.4° |
| C26 | C25 | H252 | 109.7° | 109.5° |
| C25 | C26 | H262 | 109.4° | 109.4° |
| C25 | C26 | H261 | 109.3° | 109.5° |
| C29 | C28 | O27 | 108.7° | 109.5° |
| C29 | C28 | H281 | 109.7° | 109.4° |
| C29 | C28 | H282 | 109.7° | 109.5° |
| C28 | C29 | H292 | 109.1° | 109.5° |
| C28 | C29 | H291 | 109.0° | 109.5° |
| O27 | C28 | H281 | 109.6° | 109.5° |
| O27 | C28 | H282 | 109.6° | 109.5° |
| C25 | N24 | C23 | 124.6° | 120.0° |
| N24 | C25 | H251 | 109.7° | 109.5° |
| N24 | C25 | H252 | 109.7° | 109.5° |
| C25 | N24 | H241 | 117.7° | 120.0° |
| N24 | C23 | O88 | 122.6° | 120.0° |
| N24 | C23 | C22 | 111.6° | 120.0° |
| C23 | N24 | H241 | 117.7° | 120.0° |
| O88 | C23 | C22 | 125.8° | 120.0° |
| C23 | C22 | C21 | 120.3° | 120.0° |
| C23 | C22 | H221 | 119.9° | 120.0° |
| C22 | C21 | C20 | 129.3° | 120.0° |
| C22 | C21 | H211 | 115.4° | 120.0° |
| C21 | C22 | H221 | 119.9° | 120.1° |
| C21 | C20 | C89 | 135.5° | 126.0° |
| C21 | C20 | N19 | 119.1° | 126.0° |
| C20 | C21 | H211 | 115.4° | 120.0° |
| CL95 | C94 | C93 | 120.6° | 119.8° |
| CL95 | C94 | C96 | 119.1° | 119.9° |
| C94 | C93 | C91 | 119.7° | 120.1° |
| C93 | C94 | C96 | 120.4° | 120.3° |
| C94 | C93 | H931 | 120.1° | 120.0° |
| C93 | C91 | F92 | 119.2° | 120.1° |
| C93 | C91 | C90 | 120.3° | 119.8° |
| C91 | C93 | H931 | 120.1° | 120.0° |
| F92 | C91 | C90 | 120.4° | 120.1° |
| C94 | C96 | C97 | 119.8° | 120.2° |
| C94 | C96 | H961 | 120.1° | 119.9° |
| C91 | C90 | C97 | 119.5° | 119.7° |
| C91 | C90 | C89 | 120.9° | 120.2° |
| C89 | C20 | N19 | 105.3° | 108.0° |
| C20 | C89 | C90 | 124.8° | 127.1° |
| C20 | C89 | C01 | 109.8° | 105.8° |
| C20 | N19 | C18 | 111.0° | 110.6° |
| C20 | N19 | H191 | 124.5° | 124.7° |
| C96 | C97 | C90 | 120.2° | 119.9° |
| C97 | C96 | H961 | 120.1° | 119.9° |
| C96 | C97 | H971 | 119.9° | 120.0° |
| C97 | C90 | C89 | 119.5° | 120.1° |
| C90 | C97 | H971 | 119.9° | 120.1° |
| C90 | C89 | C01 | 125.4° | 127.1° |
| C89 | C01 | C18 | 105.8° | 106.4° |
| C89 | C01 | C02 | 131.8° | 126.8° |
| N19 | C18 | C01 | 108.0° | 109.3° |
| N19 | C18 | H181 | 126.0° | 125.4° |
| C18 | N19 | H191 | 124.5° | 124.7° |
| C18 | C01 | C02 | 122.4° | 126.8° |
| C01 | C18 | H181 | 126.0° | 125.3° |
| C01 | C02 | O03 | 121.0° | 120.0° |
| C01 | C02 | N04 | 116.8° | 120.0° |
| O03 | C02 | N04 | 122.1° | 119.9° |
| C02 | N04 | C05 | 125.9° | 120.0° |
| C02 | N04 | H041 | 117.0° | 120.0° |
| N17 | C15 | O16 | 122.0° | 120.0° |
| N17 | C15 | C14 | 118.2° | 120.0° |
| C15 | N17 | H171 | 120.0° | 120.0° |
| C15 | N17 | H172 | 120.0° | 120.0° |
| O16 | C15 | C14 | 119.7° | 120.0° |
| N04 | C05 | C14 | 110.9° | 109.5° |
| N04 | C05 | C06 | 111.6° | 109.5° |
| N04 | C05 | H051 | 108.5° | 109.4° |
| C05 | N04 | H041 | 117.1° | 120.0° |
| C15 | C14 | C05 | 113.5° | 109.5° |
| C15 | C14 | H142 | 108.5° | 109.5° |
| C15 | C14 | H141 | 108.5° | 109.5° |
| C14 | C05 | C06 | 110.6° | 109.5° |
| C14 | C05 | H051 | 107.5° | 109.5° |
| C05 | C14 | H142 | 108.5° | 109.4° |
| C05 | C14 | H141 | 108.5° | 109.5° |
| C05 | C06 | C07 | 121.2° | 120.0° |
| C05 | C06 | C13 | 119.7° | 119.9° |
| C06 | C05 | H051 | 107.7° | 109.4° |
| C07 | C06 | C13 | 119.1° | 120.1° |
| C06 | C07 | C08 | 120.6° | 120.0° |
| C06 | C07 | H071 | 119.7° | 120.0° |
| C06 | C13 | C12 | 120.5° | 120.1° |
| C06 | C13 | H131 | 119.8° | 120.0° |
| C07 | C08 | CL09 | 119.3° | 120.0° |
| C07 | C08 | C10 | 119.8° | 119.9° |
| C08 | C07 | H071 | 119.7° | 120.0° |
| C13 | C12 | C10 | 120.1° | 120.0° |
| C13 | C12 | H121 | 119.9° | 120.0° |
| C12 | C13 | H131 | 119.7° | 119.9° |
| CL09 | C08 | C10 | 120.8° | 120.0° |
| C08 | C10 | C12 | 119.8° | 119.9° |
| C08 | C10 | F11 | 121.0° | 120.0° |
| C12 | C10 | F11 | 119.2° | 120.0° |
| C10 | C12 | H121 | 120.0° | 120.0° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.4° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H412 | C41 | H411 | 109.5° | 109.4° |
| H431 | C43 | H432 | 109.4° | 109.6° |
| H442 | C44 | H441 | 109.4° | 109.5° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.4° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H502 | C50 | H501 | 109.4° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.4° |
| H532 | C53 | H531 | 109.5° | 109.4° |
| H751 | C75 | H752 | 109.5° | 109.4° |
| H171 | N17 | H172 | 120.0° | 120.0° |
| H782 | N78 | H781 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F72 | C71 | C73 | C69 | 179.1° | 179.6° |
| F72 | C71 | C73 | C74 | 178.0° | 180.0° |
| F72 | C71 | C69 | CL70 | 1.6° | 0.3° |
| F72 | C71 | C69 | C68 | 176.9° | 179.7° |
| F72 | C71 | C73 | H731 | 2.0° | 0.4° |
| C71 | C73 | C74 | H731 | 180.0° | 179.7° |
| C73 | C71 | C69 | CL70 | 179.4° | 180.0° |
| C73 | C71 | C69 | C68 | 2.2° | 0.0° |
| C71 | C73 | C74 | C67 | 0.9° | 0.6° |
| C71 | C73 | C74 | H741 | 179.1° | 180.0° |
| C69 | C71 | C73 | C74 | 1.1° | 0.3° |
| C71 | C69 | CL70 | C68 | 178.5° | 180.0° |
| C71 | C69 | C68 | C67 | 1.3° | 0.1° |
| C71 | C69 | C68 | H681 | 178.7° | 180.0° |
| C69 | C71 | C73 | H731 | 178.9° | 180.0° |
| C73 | C74 | C67 | H741 | 180.0° | 179.5° |
| C73 | C74 | C67 | C68 | 1.8° | 0.5° |
| C73 | C74 | C67 | C66 | 175.9° | 179.7° |
| CL70 | C69 | C68 | C67 | 179.8° | 180.0° |
| CL70 | C69 | C68 | H681 | 0.2° | 0.0° |
| C69 | C68 | C67 | C74 | 0.7° | 0.2° |
| C69 | C68 | C67 | H681 | 180.0° | 179.9° |
| C69 | C68 | C67 | C66 | 176.9° | 180.0° |
| C74 | C67 | C68 | C66 | 177.6° | 179.8° |
| C74 | C67 | C66 | C75 | 80.8° | 79.7° |
| C74 | C67 | C66 | N65 | 154.9° | 40.3° |
| C74 | C67 | C66 | H661 | 36.1° | 160.2° |
| C74 | C67 | C68 | H681 | 179.3° | 179.8° |
| C67 | C74 | C73 | H731 | 179.1° | 179.8° |
| C68 | C67 | C66 | C75 | 96.8° | 100.0° |
| C68 | C67 | C66 | N65 | 27.5° | 140.0° |
| C68 | C67 | C66 | H661 | 146.3° | 20.0° |
| C68 | C67 | C74 | H741 | 178.3° | 180.0° |
| C67 | C66 | C75 | N65 | 124.7° | 120.0° |
| C67 | C66 | C75 | H661 | 117.0° | 120.0° |
| C67 | C66 | C75 | C76 | 176.1° | 174.4° |
| C67 | C66 | N65 | H661 | 118.3° | 120.0° |
| C67 | C66 | N65 | C63 | 97.3° | 81.5° |
| C66 | C67 | C68 | H681 | 3.1° | 0.0° |
| C66 | C67 | C74 | H741 | 4.1° | 0.3° |
| C67 | C66 | C75 | H751 | 55.5° | 65.6° |
| C67 | C66 | C75 | H752 | 63.2° | 54.3° |
| C67 | C66 | N65 | H651 | 82.7° | 98.5° |
| C66 | C75 | C76 | H751 | 120.6° | 120.0° |
| C66 | C75 | C76 | H752 | 120.6° | 120.0° |
| C75 | C66 | N65 | H661 | 117.7° | 120.0° |
| C66 | C75 | C76 | N78 | 110.4° | 175.4° |
| C66 | C75 | C76 | O77 | 66.3° | 4.5° |
| C75 | C66 | N65 | C63 | 138.7° | 158.5° |
| C66 | C75 | H751 | H752 | 118.0° | 119.9° |
| C75 | C66 | N65 | H651 | 41.3° | 21.5° |
| C76 | C75 | C66 | N65 | 51.4° | 65.7° |
| C75 | C76 | N78 | O77 | 176.6° | 179.9° |
| C76 | C75 | C66 | H661 | 66.9° | 54.3° |
| C76 | C75 | H751 | H752 | 118.1° | 120.1° |
| C75 | C76 | N78 | H782 | 176.6° | 0.0° |
| C75 | C76 | N78 | H781 | 3.3° | 179.9° |
| C66 | N65 | C63 | H651 | 180.0° | 179.9° |
| C66 | N65 | C63 | O64 | 0.7° | 5.1° |
| C66 | N65 | C63 | C62 | 176.1° | 175.0° |
| N65 | C66 | C75 | H751 | 69.2° | 54.4° |
| N65 | C66 | C75 | H752 | 172.1° | 174.3° |
| N78 | C76 | C75 | H751 | 10.2° | 64.6° |
| N78 | C76 | C75 | H752 | 128.9° | 55.4° |
| C76 | N78 | H782 | H781 | 180.0° | 180.0° |
| O77 | C76 | C75 | H751 | 173.1° | 115.5° |
| O77 | C76 | C75 | H752 | 54.4° | 124.5° |
| O77 | C76 | N78 | H782 | 0.0° | 180.0° |
| O77 | C76 | N78 | H781 | 180.0° | 0.0° |
| N65 | C63 | O64 | C62 | 176.6° | 179.9° |
| N65 | C63 | C62 | C61 | 1.3° | 0.0° |
| N65 | C63 | C62 | C79 | 176.2° | 180.0° |
| C63 | N65 | C66 | H661 | 21.0° | 38.4° |
| O64 | C63 | C62 | C61 | 178.0° | 179.9° |
| O64 | C63 | C62 | C79 | 0.5° | 0.1° |
| O64 | C63 | N65 | H651 | 179.3° | 175.0° |
| C63 | C62 | C61 | C79 | 178.1° | 180.0° |
| C63 | C62 | C61 | N60 | 175.3° | 180.0° |
| C63 | C62 | C79 | C80 | 2.2° | 0.1° |
| C63 | C62 | C79 | C59 | 173.8° | 179.9° |
| C63 | C62 | C61 | H611 | 4.7° | 0.1° |
| C62 | C63 | N65 | H651 | 3.9° | 4.9° |
| C62 | C61 | N60 | H611 | 180.0° | 180.0° |
| C62 | C61 | N60 | C59 | 0.6° | 0.2° |
| C61 | C62 | C79 | C80 | 179.9° | 179.8° |
| C61 | C62 | C79 | C59 | 4.0° | 0.2° |
| C62 | C61 | N60 | H601 | 179.4° | 180.0° |
| N60 | C61 | C62 | C79 | 2.8° | 0.0° |
| C61 | N60 | C59 | H601 | 180.0° | 179.9° |
| C61 | N60 | C59 | C79 | 1.9° | 0.3° |
| C61 | N60 | C59 | C58 | 177.0° | 180.0° |
| C62 | C79 | C59 | N60 | 3.6° | 0.3° |
| C62 | C79 | C80 | C59 | 175.4° | 180.0° |
| C62 | C79 | C80 | C87 | 105.1° | 89.8° |
| C62 | C79 | C80 | C81 | 73.6° | 90.0° |
| C62 | C79 | C59 | C58 | 174.9° | 180.0° |
| C79 | C62 | C61 | H611 | 177.2° | 180.0° |
| N60 | C59 | C79 | C80 | 179.6° | 179.7° |
| N60 | C59 | C79 | C58 | 178.5° | 179.7° |
| N60 | C59 | C58 | C57 | 167.3° | 0.4° |
| N60 | C59 | C58 | H581 | 12.7° | 179.7° |
| C59 | N60 | C61 | H611 | 179.4° | 179.8° |
| C79 | C80 | C87 | C81 | 178.7° | 179.8° |
| C79 | C80 | C87 | C86 | 178.8° | 179.7° |
| C80 | C79 | C59 | C58 | 1.1° | 0.0° |
| C79 | C80 | C81 | F82 | 0.0° | 0.0° |
| C79 | C80 | C81 | C83 | 179.3° | 180.0° |
| C79 | C80 | C87 | H871 | 1.1° | 0.1° |
| C59 | C79 | C80 | C87 | 70.3° | 90.2° |
| C59 | C79 | C80 | C81 | 111.0° | 89.9° |
| C79 | C59 | C58 | C57 | 14.3° | 180.0° |
| C79 | C59 | C58 | H581 | 165.7° | 0.1° |
| C79 | C59 | N60 | H601 | 178.1° | 179.9° |
| C80 | C87 | C86 | H871 | 180.0° | 179.8° |
| C80 | C87 | C86 | C84 | 0.3° | 0.6° |
| C87 | C80 | C81 | F82 | 178.7° | 179.8° |
| C87 | C80 | C81 | C83 | 0.6° | 0.2° |
| C80 | C87 | C86 | H861 | 179.7° | 179.7° |
| C86 | C87 | C80 | C81 | 0.2° | 0.5° |
| C87 | C86 | C84 | H861 | 180.0° | 179.7° |
| C87 | C86 | C84 | C83 | 0.2° | 0.3° |
| C87 | C86 | C84 | CL85 | 179.4° | 179.7° |
| C80 | C81 | F82 | C83 | 179.3° | 180.0° |
| C80 | C81 | C83 | C84 | 0.7° | 0.0° |
| C80 | C81 | C83 | H831 | 179.3° | 180.0° |
| C81 | C80 | C87 | H871 | 179.8° | 179.7° |
| C86 | C84 | C83 | C81 | 0.2° | 0.0° |
| C86 | C84 | C83 | CL85 | 179.1° | 180.0° |
| C86 | C84 | C83 | H831 | 179.7° | 179.9° |
| C84 | C86 | C87 | H871 | 179.7° | 179.7° |
| C59 | C58 | C57 | H581 | 180.0° | 179.9° |
| C59 | C58 | C57 | C55 | 170.7° | 180.0° |
| C59 | C58 | C57 | H571 | 9.3° | 0.1° |
| C58 | C59 | N60 | H601 | 3.0° | 0.2° |
| F82 | C81 | C83 | C84 | 178.6° | 180.0° |
| F82 | C81 | C83 | H831 | 1.4° | 0.0° |
| C81 | C83 | C84 | H831 | 180.0° | 180.0° |
| C81 | C83 | C84 | CL85 | 178.9° | 180.0° |
| C83 | C84 | C86 | H861 | 179.7° | 179.9° |
| CL85 | C84 | C83 | H831 | 1.1° | 0.0° |
| CL85 | C84 | C86 | H861 | 0.6° | 0.0° |
| C58 | C57 | C55 | H571 | 180.0° | 179.9° |
| C58 | C57 | C55 | O56 | 6.6° | 0.0° |
| C58 | C57 | C55 | N54 | 178.8° | 180.0° |
| C57 | C55 | O56 | N54 | 171.5° | 180.0° |
| C57 | C55 | N54 | C53 | 166.1° | 180.0° |
| C55 | C57 | C58 | H581 | 9.3° | 0.1° |
| C57 | C55 | N54 | H541 | 13.9° | 0.0° |
| O56 | C55 | N54 | C53 | 6.4° | 0.0° |
| O56 | C55 | C57 | H571 | 173.4° | 180.0° |
| O56 | C55 | N54 | H541 | 173.6° | 180.0° |
| C55 | N54 | C53 | H541 | 180.0° | 180.0° |
| C55 | N54 | C53 | C52 | 116.5° | 180.0° |
| C55 | N54 | C53 | H532 | 123.3° | 60.0° |
| C55 | N54 | C53 | H531 | 3.7° | 60.0° |
| N54 | C55 | C57 | H571 | 1.2° | 0.0° |
| N54 | C53 | C52 | H532 | 120.2° | 120.0° |
| N54 | C53 | C52 | H531 | 120.2° | 120.0° |
| N54 | C53 | C52 | O51 | 46.7° | 65.0° |
| N54 | C53 | C52 | H521 | 167.0° | 174.9° |
| N54 | C53 | C52 | H522 | 73.6° | 55.0° |
| N54 | C53 | H532 | H531 | 119.5° | 120.0° |
| C53 | C52 | O51 | H521 | 120.3° | 120.0° |
| C53 | C52 | O51 | H522 | 120.3° | 120.0° |
| C53 | C52 | O51 | C50 | 66.0° | 180.0° |
| C53 | C52 | H521 | H522 | 119.1° | 119.9° |
| C52 | C53 | H532 | H531 | 119.5° | 120.0° |
| C52 | C53 | N54 | H541 | 63.5° | 0.0° |
| C52 | O51 | C50 | C49 | 61.3° | 180.0° |
| C52 | O51 | C50 | H502 | 178.2° | 60.0° |
| C52 | O51 | C50 | H501 | 59.3° | 60.0° |
| O51 | C52 | H521 | H522 | 119.1° | 120.1° |
| O51 | C52 | C53 | H532 | 73.5° | 175.0° |
| O51 | C52 | C53 | H531 | 166.9° | 55.0° |
| O51 | C50 | C49 | H502 | 120.6° | 120.0° |
| O51 | C50 | C49 | H501 | 120.6° | 120.0° |
| O51 | C50 | C49 | O48 | 163.6° | 65.0° |
| O51 | C50 | C49 | H491 | 76.0° | 175.0° |
| O51 | C50 | C49 | H492 | 43.1° | 55.0° |
| O51 | C50 | H502 | H501 | 118.2° | 120.0° |
| C50 | O51 | C52 | H521 | 54.3° | 60.0° |
| C50 | O51 | C52 | H522 | 173.8° | 60.0° |
| C50 | C49 | O48 | H491 | 120.4° | 120.0° |
| C50 | C49 | O48 | H492 | 120.5° | 120.0° |
| C50 | C49 | O48 | C47 | 76.3° | 180.0° |
| C50 | C49 | H491 | H492 | 118.6° | 120.1° |
| C49 | C50 | H502 | H501 | 118.2° | 120.0° |
| C49 | O48 | C47 | C46 | 75.0° | 180.0° |
| C49 | O48 | C47 | H472 | 45.7° | 60.0° |
| C49 | O48 | C47 | H471 | 164.4° | 59.9° |
| O48 | C49 | H491 | H492 | 118.6° | 119.9° |
| O48 | C49 | C50 | H502 | 43.0° | 175.0° |
| O48 | C49 | C50 | H501 | 75.8° | 55.0° |
| O48 | C47 | C46 | H472 | 120.7° | 120.0° |
| O48 | C47 | C46 | H471 | 120.7° | 120.0° |
| O48 | C47 | C46 | O45 | 169.3° | 65.0° |
| O48 | C47 | C46 | H461 | 70.7° | 175.0° |
| O48 | C47 | C46 | H462 | 49.4° | 55.0° |
| O48 | C47 | H472 | H471 | 117.9° | 119.9° |
| C47 | O48 | C49 | H491 | 163.2° | 59.9° |
| C47 | O48 | C49 | H492 | 44.2° | 60.0° |
| C47 | C46 | O45 | H461 | 120.0° | 120.0° |
| C47 | C46 | O45 | H462 | 120.0° | 120.0° |
| C47 | C46 | O45 | C44 | 167.7° | 180.0° |
| C47 | C46 | H461 | H462 | 120.1° | 120.0° |
| C46 | C47 | H472 | H471 | 118.0° | 120.0° |
| C46 | O45 | C44 | C43 | 179.2° | 180.0° |
| C46 | O45 | C44 | H442 | 59.0° | 60.0° |
| C46 | O45 | C44 | H441 | 60.6° | 60.1° |
| O45 | C46 | H461 | H462 | 120.1° | 120.0° |
| O45 | C46 | C47 | H472 | 48.6° | 174.9° |
| O45 | C46 | C47 | H471 | 70.0° | 54.9° |
| O45 | C44 | C43 | H442 | 120.2° | 120.0° |
| O45 | C44 | C43 | H441 | 120.2° | 119.9° |
| O45 | C44 | C43 | O42 | 91.3° | 65.0° |
| O45 | C44 | C43 | H431 | 148.7° | 175.0° |
| O45 | C44 | C43 | H432 | 28.8° | 55.0° |
| O45 | C44 | H442 | H441 | 119.4° | 120.0° |
| C44 | O45 | C46 | H461 | 72.3° | 60.0° |
| C44 | O45 | C46 | H462 | 47.7° | 59.9° |
| C44 | C43 | O42 | H431 | 120.0° | 119.9° |
| C44 | C43 | O42 | H432 | 120.0° | 119.9° |
| C44 | C43 | O42 | C41 | 168.0° | 179.9° |
| C44 | C43 | H431 | H432 | 119.9° | 120.0° |
| C43 | C44 | H442 | H441 | 119.4° | 120.0° |
| C43 | O42 | C41 | C40 | 78.9° | 180.0° |
| C43 | O42 | C41 | H412 | 41.8° | 59.9° |
| C43 | O42 | C41 | H411 | 160.4° | 60.1° |
| O42 | C43 | H431 | H432 | 120.0° | 120.1° |
| O42 | C43 | C44 | H442 | 28.9° | 175.0° |
| O42 | C43 | C44 | H441 | 148.5° | 55.0° |
| O42 | C41 | C40 | H412 | 120.7° | 120.1° |
| O42 | C41 | C40 | H411 | 120.7° | 120.0° |
| O42 | C41 | C40 | O39 | 82.3° | 64.9° |
| O42 | C41 | C40 | H401 | 38.1° | 175.0° |
| O42 | C41 | C40 | H402 | 157.3° | 55.1° |
| O42 | C41 | H412 | H411 | 117.8° | 120.0° |
| C41 | O42 | C43 | H431 | 72.0° | 60.1° |
| C41 | O42 | C43 | H432 | 48.0° | 60.0° |
| C41 | C40 | O39 | H401 | 120.4° | 120.0° |
| C41 | C40 | O39 | H402 | 120.4° | 120.0° |
| C41 | C40 | O39 | C38 | 98.1° | 180.0° |
| C41 | C40 | H401 | H402 | 118.8° | 119.9° |
| C40 | C41 | H412 | H411 | 117.9° | 119.9° |
| C40 | O39 | C38 | C37 | 73.0° | 180.0° |
| C40 | O39 | C38 | H382 | 166.7° | 60.0° |
| C40 | O39 | C38 | H381 | 47.2° | 60.0° |
| O39 | C40 | H401 | H402 | 118.8° | 120.1° |
| O39 | C40 | C41 | H412 | 157.0° | 174.9° |
| O39 | C40 | C41 | H411 | 38.4° | 55.0° |
| O39 | C38 | C37 | H382 | 120.2° | 120.0° |
| O39 | C38 | C37 | H381 | 120.3° | 120.0° |
| O39 | C38 | C37 | O36 | 152.4° | 65.0° |
| O39 | C38 | C37 | H371 | 86.9° | 175.0° |
| O39 | C38 | C37 | H372 | 31.6° | 55.0° |
| O39 | C38 | H382 | H381 | 119.3° | 119.9° |
| C38 | O39 | C40 | H401 | 22.3° | 60.0° |
| C38 | O39 | C40 | H402 | 141.5° | 60.0° |
| C38 | C37 | O36 | H371 | 120.7° | 119.9° |
| C38 | C37 | O36 | H372 | 120.7° | 120.0° |
| C38 | C37 | O36 | C35 | 58.9° | 180.0° |
| C38 | C37 | H371 | H372 | 117.7° | 120.0° |
| C37 | C38 | H382 | H381 | 119.3° | 120.1° |
| C37 | O36 | C35 | C34 | 147.7° | 180.0° |
| C37 | O36 | C35 | H352 | 92.3° | 60.0° |
| C37 | O36 | C35 | H351 | 27.7° | 60.0° |
| O36 | C37 | H371 | H372 | 117.7° | 120.0° |
| O36 | C37 | C38 | H382 | 32.2° | 175.0° |
| O36 | C37 | C38 | H381 | 87.4° | 55.0° |
| O36 | C35 | C34 | H352 | 120.0° | 120.0° |
| O36 | C35 | C34 | H351 | 120.0° | 120.0° |
| O36 | C35 | C34 | O33 | 49.9° | 65.0° |
| O36 | C35 | C34 | H341 | 170.7° | 175.0° |
| O36 | C35 | C34 | H342 | 70.8° | 55.0° |
| O36 | C35 | H352 | H351 | 120.0° | 120.0° |
| C35 | O36 | C37 | H371 | 61.8° | 60.0° |
| C35 | O36 | C37 | H372 | 179.7° | 60.0° |
| C35 | C34 | O33 | H341 | 120.7° | 120.0° |
| C35 | C34 | O33 | H342 | 120.7° | 120.0° |
| C35 | C34 | O33 | C32 | 62.9° | 180.0° |
| C35 | C34 | H341 | H342 | 117.8° | 120.0° |
| C34 | C35 | H352 | H351 | 120.0° | 120.0° |
| C34 | O33 | C32 | C31 | 173.6° | 180.0° |
| C34 | O33 | C32 | H322 | 66.6° | 60.0° |
| C34 | O33 | C32 | H321 | 53.8° | 60.0° |
| O33 | C34 | H341 | H342 | 117.8° | 120.0° |
| O33 | C34 | C35 | H352 | 70.1° | 175.0° |
| O33 | C34 | C35 | H351 | 170.0° | 55.0° |
| O33 | C32 | C31 | H322 | 119.8° | 120.0° |
| O33 | C32 | C31 | H321 | 119.8° | 120.0° |
| O33 | C32 | C31 | O30 | 170.0° | 65.0° |
| O33 | C32 | C31 | H311 | 70.0° | 175.0° |
| O33 | C32 | C31 | H312 | 50.0° | 55.0° |
| O33 | C32 | H322 | H321 | 120.6° | 120.0° |
| C32 | O33 | C34 | H341 | 57.9° | 60.0° |
| C32 | O33 | C34 | H342 | 176.4° | 59.9° |
| C32 | C31 | O30 | H311 | 120.0° | 120.0° |
| C32 | C31 | O30 | H312 | 120.0° | 120.0° |
| C32 | C31 | O30 | C29 | 179.6° | 180.0° |
| C32 | C31 | H311 | H312 | 120.1° | 120.0° |
| C31 | C32 | H322 | H321 | 120.6° | 120.0° |
| C31 | O30 | C29 | C28 | 85.9° | 180.0° |
| C31 | O30 | C29 | H292 | 34.3° | 60.0° |
| C31 | O30 | C29 | H291 | 153.8° | 60.0° |
| O30 | C31 | H311 | H312 | 120.0° | 120.0° |
| O30 | C31 | C32 | H322 | 50.2° | 175.0° |
| O30 | C31 | C32 | H321 | 70.2° | 55.0° |
| O30 | C29 | C28 | H292 | 120.3° | 120.0° |
| O30 | C29 | C28 | H291 | 120.2° | 120.0° |
| O30 | C29 | C28 | O27 | 82.5° | 65.0° |
| O30 | C29 | C28 | H281 | 37.4° | 175.0° |
| O30 | C29 | C28 | H282 | 157.6° | 55.0° |
| O30 | C29 | H292 | H291 | 119.2° | 120.0° |
| C29 | O30 | C31 | H311 | 59.6° | 60.0° |
| C29 | O30 | C31 | H312 | 60.4° | 60.0° |
| O27 | C26 | C25 | H262 | 120.1° | 119.9° |
| O27 | C26 | C25 | H261 | 120.1° | 120.0° |
| C26 | O27 | C28 | C29 | 132.7° | 180.0° |
| O27 | C26 | C25 | N24 | 51.6° | 65.1° |
| O27 | C26 | C25 | H251 | 171.5° | 175.0° |
| O27 | C26 | C25 | H252 | 68.2° | 55.0° |
| O27 | C26 | H262 | H261 | 119.7° | 120.0° |
| C26 | O27 | C28 | H281 | 12.8° | 60.0° |
| C26 | O27 | C28 | H282 | 107.4° | 60.0° |
| C25 | C26 | O27 | C28 | 80.9° | 180.0° |
| C26 | C25 | N24 | H251 | 119.8° | 119.9° |
| C26 | C25 | N24 | H252 | 119.8° | 120.1° |
| C26 | C25 | N24 | C23 | 168.5° | 180.0° |
| C26 | C25 | H251 | H252 | 120.5° | 120.0° |
| C25 | C26 | H262 | H261 | 119.7° | 120.0° |
| C26 | C25 | N24 | H241 | 11.6° | 0.1° |
| C29 | C28 | O27 | H281 | 119.9° | 120.0° |
| C29 | C28 | O27 | H282 | 119.9° | 120.0° |
| C29 | C28 | H281 | H282 | 120.4° | 120.0° |
| C28 | C29 | H292 | H291 | 119.2° | 120.1° |
| C28 | O27 | C26 | H262 | 159.0° | 60.0° |
| C28 | O27 | C26 | H261 | 39.2° | 60.0° |
| O27 | C28 | H281 | H282 | 120.3° | 120.0° |
| O27 | C28 | C29 | H292 | 157.2° | 175.0° |
| O27 | C28 | C29 | H291 | 37.7° | 55.0° |
| C25 | N24 | C23 | H241 | 180.0° | 179.9° |
| C25 | N24 | C23 | O88 | 3.5° | 0.0° |
| C25 | N24 | C23 | C22 | 177.6° | 180.0° |
| N24 | C25 | H251 | H252 | 120.5° | 120.0° |
| N24 | C25 | C26 | H262 | 68.4° | 175.0° |
| N24 | C25 | C26 | H261 | 171.7° | 54.9° |
| N24 | C23 | O88 | C22 | 178.8° | 180.0° |
| N24 | C23 | C22 | C21 | 168.1° | 180.0° |
| N24 | C23 | C22 | H221 | 11.9° | 0.1° |
| C23 | N24 | C25 | H251 | 48.6° | 60.1° |
| C23 | N24 | C25 | H252 | 71.7° | 59.9° |
| O88 | C23 | C22 | C21 | 13.0° | 0.0° |
| O88 | C23 | C22 | H221 | 167.0° | 179.9° |
| O88 | C23 | N24 | H241 | 176.5° | 179.9° |
| C23 | C22 | C21 | H221 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 175.3° | 180.0° |
| C23 | C22 | C21 | H211 | 4.7° | 0.0° |
| C22 | C23 | N24 | H241 | 2.5° | 0.1° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C22 | C21 | C20 | C89 | 14.5° | 180.0° |
| C22 | C21 | C20 | N19 | 163.8° | 0.3° |
| C21 | C20 | C89 | N19 | 178.5° | 179.7° |
| C21 | C20 | C89 | C90 | 2.2° | 0.3° |
| C21 | C20 | C89 | C01 | 179.5° | 180.0° |
| C21 | C20 | N19 | C18 | 179.9° | 179.8° |
| C20 | C21 | C22 | H221 | 4.7° | 0.1° |
| C21 | C20 | N19 | H191 | 0.1° | 0.3° |
| CL95 | C94 | C93 | C96 | 179.2° | 180.0° |
| CL95 | C94 | C93 | C91 | 179.0° | 180.0° |
| CL95 | C94 | C96 | C97 | 179.6° | 180.0° |
| CL95 | C94 | C93 | H931 | 1.0° | 0.0° |
| CL95 | C94 | C96 | H961 | 0.4° | 0.0° |
| C94 | C93 | C91 | H931 | 180.0° | 180.0° |
| C94 | C93 | C91 | F92 | 178.1° | 180.0° |
| C94 | C93 | C91 | C90 | 0.8° | 0.0° |
| C93 | C94 | C96 | C97 | 0.4° | 0.0° |
| C93 | C94 | C96 | H961 | 179.6° | 180.0° |
| C93 | C91 | F92 | C90 | 178.9° | 179.9° |
| C91 | C93 | C94 | C96 | 0.2° | 0.0° |
| C93 | C91 | C90 | C97 | 0.8° | 0.1° |
| C93 | C91 | C90 | C89 | 179.9° | 179.7° |
| F92 | C91 | C90 | C97 | 178.1° | 180.0° |
| F92 | C91 | C90 | C89 | 1.2° | 0.3° |
| F92 | C91 | C93 | H931 | 1.9° | 0.0° |
| C94 | C96 | C97 | H961 | 180.0° | 180.0° |
| C94 | C96 | C97 | C90 | 0.4° | 0.0° |
| C96 | C94 | C93 | H931 | 179.8° | 180.0° |
| C94 | C96 | C97 | H971 | 179.6° | 179.7° |
| C91 | C90 | C89 | C20 | 111.9° | 89.7° |
| C91 | C90 | C97 | C96 | 0.2° | 0.1° |
| C91 | C90 | C97 | C89 | 179.3° | 179.7° |
| C91 | C90 | C89 | C01 | 71.1° | 90.6° |
| C90 | C91 | C93 | H931 | 179.2° | 180.0° |
| C91 | C90 | C97 | H971 | 179.8° | 179.7° |
| C20 | C89 | C90 | C97 | 68.8° | 90.0° |
| C20 | C89 | C90 | C01 | 177.0° | 179.7° |
| C89 | C20 | N19 | C18 | 1.1° | 0.4° |
| C20 | C89 | C01 | C18 | 2.2° | 0.0° |
| C20 | C89 | C01 | C02 | 176.0° | 179.7° |
| C89 | C20 | C21 | H211 | 165.5° | 0.0° |
| C89 | C20 | N19 | H191 | 178.9° | 180.0° |
| N19 | C20 | C89 | C90 | 179.4° | 180.0° |
| N19 | C20 | C89 | C01 | 2.0° | 0.3° |
| C20 | N19 | C18 | H191 | 180.0° | 179.6° |
| C20 | N19 | C18 | C01 | 0.2° | 0.4° |
| C20 | N19 | C18 | H181 | 179.8° | 179.6° |
| N19 | C20 | C21 | H211 | 16.2° | 179.7° |
| C96 | C97 | C90 | H971 | 180.0° | 179.7° |
| C96 | C97 | C90 | C89 | 179.5° | 179.7° |
| C97 | C90 | C89 | C01 | 108.2° | 89.7° |
| C90 | C97 | C96 | H961 | 179.6° | 180.0° |
| C90 | C89 | C01 | C18 | 179.5° | 179.8° |
| C90 | C89 | C01 | C02 | 1.4° | 0.0° |
| C89 | C90 | C97 | H971 | 0.5° | 0.0° |
| C89 | C01 | C18 | N19 | 1.4° | 0.2° |
| C89 | C01 | C18 | C02 | 178.4° | 179.8° |
| C89 | C01 | C02 | O03 | 1.0° | 0.2° |
| C89 | C01 | C02 | N04 | 177.3° | 179.7° |
| C89 | C01 | C18 | H181 | 178.6° | 179.8° |
| N19 | C18 | C01 | H181 | 180.0° | 180.0° |
| N19 | C18 | C01 | C02 | 176.9° | 180.0° |
| C18 | C01 | C02 | O03 | 176.9° | 180.0° |
| C18 | C01 | C02 | N04 | 0.7° | 0.0° |
| C01 | C18 | N19 | H191 | 179.8° | 180.0° |
| C01 | C02 | O03 | N04 | 176.1° | 179.9° |
| C01 | C02 | N04 | C05 | 173.7° | 175.2° |
| C02 | C01 | C18 | H181 | 3.0° | 0.0° |
| C01 | C02 | N04 | H041 | 6.3° | 4.7° |
| O03 | C02 | N04 | C05 | 2.5° | 4.9° |
| O03 | C02 | N04 | H041 | 177.5° | 175.2° |
| C02 | N04 | C05 | H041 | 180.0° | 179.9° |
| C02 | N04 | C05 | C14 | 141.8° | 158.7° |
| C02 | N04 | C05 | C06 | 94.5° | 81.2° |
| C02 | N04 | C05 | H051 | 24.0° | 38.7° |
| N17 | C15 | O16 | C14 | 176.3° | 179.9° |
| N17 | C15 | C14 | C05 | 112.2° | 174.4° |
| N17 | C15 | C14 | H142 | 127.2° | 54.4° |
| N17 | C15 | C14 | H141 | 8.4° | 65.6° |
| C15 | N17 | H171 | H172 | 180.0° | 179.9° |
| O16 | C15 | C14 | C05 | 64.2° | 5.5° |
| O16 | C15 | C14 | H142 | 56.4° | 125.5° |
| O16 | C15 | C14 | H141 | 175.2° | 114.5° |
| O16 | C15 | N17 | H171 | 0.0° | 180.0° |
| O16 | C15 | N17 | H172 | 180.0° | 0.1° |
| N04 | C05 | C14 | C15 | 53.9° | 65.5° |
| N04 | C05 | C14 | C06 | 124.3° | 120.1° |
| N04 | C05 | C14 | H051 | 118.5° | 120.0° |
| N04 | C05 | C06 | H051 | 119.0° | 120.0° |
| N04 | C05 | C06 | C07 | 28.3° | 140.0° |
| N04 | C05 | C06 | C13 | 154.4° | 40.3° |
| N04 | C05 | C14 | H142 | 174.5° | 54.5° |
| N04 | C05 | C14 | H141 | 66.7° | 174.5° |
| C15 | C14 | C05 | H142 | 120.6° | 120.0° |
| C15 | C14 | C05 | H141 | 120.6° | 120.0° |
| C15 | C14 | C05 | C06 | 178.2° | 174.4° |
| C15 | C14 | C05 | H051 | 64.6° | 54.4° |
| C15 | C14 | H142 | H141 | 118.2° | 120.0° |
| C14 | C15 | N17 | H171 | 176.4° | 0.1° |
| C14 | C15 | N17 | H172 | 3.7° | 180.0° |
| C14 | C05 | C06 | H051 | 117.1° | 120.0° |
| C14 | C05 | C06 | C07 | 95.5° | 100.0° |
| C14 | C05 | C06 | C13 | 81.7° | 79.7° |
| C05 | C14 | H142 | H141 | 118.2° | 120.0° |
| C14 | C05 | N04 | H041 | 38.2° | 21.4° |
| C05 | C06 | C07 | C13 | 177.3° | 179.7° |
| C05 | C06 | C07 | C08 | 176.9° | 180.0° |
| C05 | C06 | C13 | C12 | 175.5° | 179.7° |
| C05 | C06 | C07 | H071 | 3.1° | 0.0° |
| C05 | C06 | C13 | H131 | 4.5° | 0.1° |
| C06 | C05 | C14 | H142 | 61.2° | 65.6° |
| C06 | C05 | C14 | H141 | 57.6° | 54.4° |
| C06 | C05 | N04 | H041 | 85.5° | 98.6° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C07 | C06 | C13 | C12 | 1.8° | 0.6° |
| C06 | C07 | C08 | CL09 | 179.9° | 180.0° |
| C06 | C07 | C08 | C10 | 1.7° | 0.0° |
| C07 | C06 | C05 | H051 | 147.3° | 20.0° |
| C07 | C06 | C13 | H131 | 178.2° | 179.8° |
| C13 | C06 | C07 | C08 | 0.4° | 0.3° |
| C06 | C13 | C12 | H131 | 180.0° | 179.7° |
| C06 | C13 | C12 | C10 | 1.1° | 0.6° |
| C13 | C06 | C05 | H051 | 35.4° | 160.3° |
| C13 | C06 | C07 | H071 | 179.6° | 179.7° |
| C06 | C13 | C12 | H121 | 178.9° | 179.6° |
| C07 | C08 | CL09 | C10 | 178.3° | 180.0° |
| C07 | C08 | C10 | C12 | 2.5° | 0.0° |
| C07 | C08 | C10 | F11 | 176.6° | 180.0° |
| C13 | C12 | C10 | C08 | 1.1° | 0.3° |
| C13 | C12 | C10 | H121 | 180.0° | 179.8° |
| C13 | C12 | C10 | F11 | 178.0° | 179.7° |
| CL09 | C08 | C10 | C12 | 179.2° | 180.0° |
| CL09 | C08 | C10 | F11 | 1.8° | 0.0° |
| CL09 | C08 | C07 | H071 | 0.1° | 0.0° |
| C08 | C10 | C12 | F11 | 179.1° | 180.0° |
| C10 | C08 | C07 | H071 | 178.2° | 180.0° |
| C08 | C10 | C12 | H121 | 178.9° | 179.9° |
| C10 | C12 | C13 | H131 | 178.9° | 179.8° |
| F11 | C10 | C12 | H121 | 2.1° | 0.1° |
| H051 | C05 | C14 | H142 | 56.0° | 174.4° |
| H051 | C05 | C14 | H141 | 174.8° | 65.6° |
| H051 | C05 | N04 | H041 | 156.0° | 141.4° |
| H121 | C12 | C13 | H131 | 1.0° | 0.0° |
| H181 | C18 | N19 | H191 | 0.2° | 0.0° |
| H211 | C21 | C22 | H221 | 175.3° | 180.0° |
| H251 | C25 | C26 | H262 | 51.4° | 55.0° |
| H251 | C25 | C26 | H261 | 68.5° | 65.0° |
| H251 | C25 | N24 | H241 | 131.4° | 120.1° |
| H252 | C25 | C26 | H262 | 171.7° | 64.9° |
| H252 | C25 | C26 | H261 | 51.9° | 175.0° |
| H252 | C25 | N24 | H241 | 108.3° | 120.0° |
| H281 | C28 | C29 | H292 | 82.9° | 55.0° |
| H281 | C28 | C29 | H291 | 157.6° | 65.0° |
| H282 | C28 | C29 | H292 | 37.4° | 64.9° |
| H282 | C28 | C29 | H291 | 82.1° | 175.0° |
| H311 | C31 | C32 | H322 | 170.2° | 55.0° |
| H311 | C31 | C32 | H321 | 49.8° | 65.0° |
| H312 | C31 | C32 | H322 | 69.8° | 65.0° |
| H312 | C31 | C32 | H321 | 169.8° | 175.0° |
| H341 | C34 | C35 | H352 | 50.6° | 55.0° |
| H341 | C34 | C35 | H351 | 69.3° | 65.0° |
| H342 | C34 | C35 | H352 | 169.2° | 65.0° |
| H342 | C34 | C35 | H351 | 49.3° | 175.0° |
| H371 | C37 | C38 | H382 | 152.9° | 55.0° |
| H371 | C37 | C38 | H381 | 33.4° | 65.0° |
| H372 | C37 | C38 | H382 | 88.6° | 65.0° |
| H372 | C37 | C38 | H381 | 151.9° | 175.0° |
| H401 | C40 | C41 | H412 | 82.6° | 54.9° |
| H401 | C40 | C41 | H411 | 158.8° | 65.0° |
| H402 | C40 | C41 | H412 | 36.6° | 65.1° |
| H402 | C40 | C41 | H411 | 82.0° | 175.0° |
| H431 | C43 | C44 | H442 | 91.1° | 55.0° |
| H431 | C43 | C44 | H441 | 28.5° | 65.0° |
| H432 | C43 | C44 | H442 | 149.0° | 65.0° |
| H432 | C43 | C44 | H441 | 91.5° | 174.9° |
| H461 | C46 | C47 | H472 | 168.6° | 55.0° |
| H461 | C46 | C47 | H471 | 49.9° | 65.0° |
| H462 | C46 | C47 | H472 | 71.3° | 65.0° |
| H462 | C46 | C47 | H471 | 170.0° | 175.0° |
| H491 | C49 | C50 | H502 | 163.4° | 55.0° |
| H491 | C49 | C50 | H501 | 44.6° | 65.0° |
| H492 | C49 | C50 | H502 | 77.5° | 65.0° |
| H492 | C49 | C50 | H501 | 163.7° | 175.0° |
| H521 | C52 | C53 | H532 | 46.8° | 54.9° |
| H521 | C52 | C53 | H531 | 72.8° | 65.0° |
| H522 | C52 | C53 | H532 | 166.3° | 65.0° |
| H522 | C52 | C53 | H531 | 46.6° | 175.0° |
| H532 | C53 | N54 | H541 | 56.7° | 120.0° |
| H531 | C53 | N54 | H541 | 176.3° | 120.1° |
| H571 | C57 | C58 | H581 | 170.7° | NaN° |
| H611 | C61 | N60 | H601 | 0.6° | 0.1° |
| H661 | C66 | C75 | H751 | 172.5° | 174.3° |
| H661 | C66 | C75 | H752 | 53.8° | 65.7° |
| H661 | C66 | N65 | H651 | 159.0° | 141.5° |
| H731 | C73 | C74 | H741 | 0.9° | 0.3° |
| H861 | C86 | C87 | H871 | 0.3° | 0.1° |
| H961 | C96 | C97 | H971 | 0.4° | 0.3° |
