A1C25
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| C04 | N03 | sing | 1.47Å | 1.48Å | |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| F09 | C08 | sing | 1.35Å | 1.35Å | |
| C10 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| CL11 | C10 | sing | 1.74Å | 1.72Å | |
| C12 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| C13 | C04 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| N15 | C14 | sing | 1.35Å | 1.33Å | |
| O16 | C14 | doub | 1.21Å | 1.23Å | |
| N03 | C02 | sing | 1.35Å | 1.35Å | |
| C17 | C02 | sing | 1.47Å | 1.46Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| N19 | C18 | sing | 1.34Å | 1.37Å | Aromatic |
| C20 | N19 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.35Å | |
| C23 | C22 | sing | 1.41Å | 1.44Å | |
| C25 | N24 | sing | 1.46Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| O27 | C26 | sing | 1.43Å | 1.42Å | |
| C28 | O27 | sing | 1.43Å | 1.42Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| O30 | C29 | sing | 1.43Å | 1.42Å | |
| C31 | O30 | sing | 1.43Å | 1.42Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| O33 | C32 | sing | 1.43Å | 1.42Å | |
| C34 | O33 | sing | 1.43Å | 1.42Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| O36 | C35 | sing | 1.43Å | 1.42Å | |
| C37 | O36 | sing | 1.43Å | 1.42Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| O39 | C38 | sing | 1.43Å | 1.43Å | |
| C40 | O39 | sing | 1.43Å | 1.42Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| O42 | C41 | sing | 1.43Å | 1.43Å | |
| C43 | O42 | sing | 1.43Å | 1.42Å | |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| O45 | C44 | sing | 1.43Å | 1.42Å | |
| C46 | O45 | sing | 1.43Å | 1.42Å | |
| C47 | C46 | sing | 1.53Å | 1.55Å | |
| O48 | C47 | sing | 1.43Å | 1.43Å | |
| C49 | O48 | sing | 1.43Å | 1.43Å | |
| C50 | C49 | sing | 1.53Å | 1.54Å | |
| N51 | C50 | sing | 1.47Å | 1.47Å | |
| C52 | N51 | sing | 1.35Å | 1.34Å | |
| C54 | C53 | doub | 1.36Å | 1.35Å | |
| C55 | C54 | sing | 1.41Å | 1.43Å | |
| C56 | C55 | doub | 1.39Å | 1.38Å | Aromatic |
| C58 | C57 | doub | 1.40Å | 1.40Å | Aromatic |
| C59 | C58 | sing | 1.38Å | 1.39Å | Aromatic |
| C60 | C59 | doub | 1.38Å | 1.39Å | Aromatic |
| CL61 | C60 | sing | 1.74Å | 1.72Å | |
| C62 | C60 | sing | 1.38Å | 1.39Å | Aromatic |
| C63 | C62 | doub | 1.38Å | 1.39Å | Aromatic |
| F64 | C63 | sing | 1.35Å | 1.35Å | |
| C57 | C56 | sing | 1.48Å | 1.47Å | |
| C65 | C56 | sing | 1.47Å | 1.43Å | Aromatic |
| C68 | N67 | sing | 1.47Å | 1.49Å | |
| C70 | C69 | doub | 1.38Å | 1.40Å | Aromatic |
| C71 | C70 | sing | 1.38Å | 1.39Å | Aromatic |
| C72 | C71 | doub | 1.38Å | 1.39Å | Aromatic |
| F73 | C72 | sing | 1.35Å | 1.35Å | |
| C74 | C72 | sing | 1.39Å | 1.40Å | Aromatic |
| CL75 | C74 | sing | 1.74Å | 1.72Å | |
| C76 | C74 | doub | 1.38Å | 1.39Å | Aromatic |
| C69 | C68 | sing | 1.51Å | 1.54Å | |
| C77 | C68 | sing | 1.53Å | 1.55Å | |
| C78 | C77 | sing | 1.51Å | 1.53Å | |
| N79 | C78 | sing | 1.35Å | 1.33Å | |
| O80 | C78 | doub | 1.21Å | 1.23Å | |
| N67 | C66 | sing | 1.35Å | 1.35Å | |
| O81 | C66 | doub | 1.22Å | 1.23Å | |
| C66 | C65 | sing | 1.47Å | 1.48Å | |
| C82 | C65 | doub | 1.38Å | 1.37Å | Aromatic |
| N83 | C82 | sing | 1.34Å | 1.38Å | Aromatic |
| C53 | C52 | sing | 1.41Å | 1.45Å | |
| O84 | C52 | doub | 1.22Å | 1.23Å | |
| N24 | C23 | sing | 1.35Å | 1.34Å | |
| O85 | C23 | doub | 1.22Å | 1.23Å | |
| C21 | C20 | sing | 1.41Å | 1.43Å | |
| C86 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C87 | C86 | sing | 1.48Å | 1.48Å | |
| C88 | C87 | doub | 1.40Å | 1.40Å | Aromatic |
| C89 | C88 | sing | 1.38Å | 1.39Å | Aromatic |
| C90 | C89 | doub | 1.38Å | 1.39Å | Aromatic |
| CL91 | C90 | sing | 1.74Å | 1.72Å | |
| C92 | C90 | sing | 1.39Å | 1.39Å | Aromatic |
| C93 | C92 | doub | 1.38Å | 1.39Å | Aromatic |
| F94 | C93 | sing | 1.35Å | 1.35Å | |
| C05 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C86 | sing | 1.47Å | 1.42Å | Aromatic |
| C55 | N83 | sing | 1.38Å | 1.38Å | Aromatic |
| C57 | C63 | sing | 1.40Å | 1.41Å | Aromatic |
| C69 | C76 | sing | 1.38Å | 1.40Å | Aromatic |
| C87 | C93 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | 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 | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | 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 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C58 | H581 | sing | 1.08Å | 1.08Å | |
| C59 | H591 | sing | 1.08Å | 1.08Å | |
| C62 | H621 | sing | 1.08Å | 1.08Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| C70 | H701 | sing | 1.08Å | 1.08Å | |
| C71 | H711 | sing | 1.08Å | 1.08Å | |
| C76 | H761 | sing | 1.08Å | 1.08Å | |
| C77 | H771 | sing | 1.09Å | 1.10Å | |
| C77 | H772 | sing | 1.09Å | 1.10Å | |
| C82 | H821 | sing | 1.08Å | 1.08Å | |
| C88 | H881 | sing | 1.08Å | 1.08Å | |
| C89 | H891 | sing | 1.08Å | 1.08Å | |
| C92 | H921 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N15 | H152 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N51 | H511 | sing | 0.97Å | 1.00Å | |
| N67 | H671 | sing | 0.97Å | 1.00Å | |
| N79 | H792 | sing | 0.97Å | 1.00Å | |
| N79 | H791 | sing | 0.97Å | 1.00Å | |
| N83 | H831 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 121.7° | 120.0° |
| O01 | C02 | C17 | 120.5° | 120.0° |
| N03 | C04 | C05 | 114.9° | 109.4° |
| N03 | C04 | C13 | 114.1° | 109.5° |
| C04 | N03 | C02 | 124.4° | 120.0° |
| N03 | C04 | H041 | 106.6° | 109.4° |
| C04 | N03 | H031 | 117.8° | 119.9° |
| C05 | C06 | C07 | 120.6° | 120.1° |
| C06 | C05 | C04 | 119.1° | 120.0° |
| C06 | C05 | C12 | 118.9° | 120.1° |
| C05 | C06 | H061 | 119.7° | 120.0° |
| C06 | C07 | C08 | 120.1° | 120.0° |
| C07 | C06 | H061 | 119.7° | 120.0° |
| C06 | C07 | H071 | 119.9° | 120.0° |
| C07 | C08 | F09 | 119.2° | 120.0° |
| C07 | C08 | C10 | 119.8° | 120.0° |
| C08 | C07 | H071 | 120.0° | 120.0° |
| F09 | C08 | C10 | 121.0° | 120.0° |
| C08 | C10 | CL11 | 120.8° | 120.1° |
| C08 | C10 | C12 | 120.0° | 119.9° |
| CL11 | C10 | C12 | 119.1° | 120.1° |
| C10 | C12 | C05 | 120.5° | 120.0° |
| C10 | C12 | H121 | 119.7° | 119.9° |
| C05 | C04 | C13 | 108.5° | 109.5° |
| C04 | C05 | C12 | 122.0° | 120.0° |
| C05 | C04 | H041 | 106.1° | 109.5° |
| C04 | C13 | C14 | 115.8° | 109.5° |
| C04 | C13 | H131 | 107.9° | 109.5° |
| C04 | C13 | H132 | 107.9° | 109.5° |
| C13 | C04 | H041 | 105.9° | 109.5° |
| C13 | C14 | N15 | 117.0° | 120.0° |
| C13 | C14 | O16 | 120.9° | 120.0° |
| C14 | C13 | H131 | 107.9° | 109.4° |
| C14 | C13 | H132 | 107.9° | 109.5° |
| N15 | C14 | O16 | 122.1° | 120.1° |
| C14 | N15 | H152 | 120.0° | 120.0° |
| C14 | N15 | H151 | 120.0° | 119.9° |
| N03 | C02 | C17 | 117.8° | 120.0° |
| C02 | N03 | H031 | 117.8° | 120.0° |
| C02 | C17 | C18 | 128.4° | 126.8° |
| C02 | C17 | C86 | 126.5° | 126.8° |
| C17 | C18 | N19 | 109.3° | 109.2° |
| C18 | C17 | C86 | 105.1° | 106.4° |
| C17 | C18 | H181 | 125.4° | 125.4° |
| C18 | N19 | C20 | 109.5° | 110.5° |
| N19 | C18 | H181 | 125.4° | 125.4° |
| C18 | N19 | H191 | 125.2° | 124.7° |
| N19 | C20 | C21 | 118.3° | 125.9° |
| N19 | C20 | C86 | 106.7° | 108.1° |
| C20 | N19 | H191 | 125.2° | 124.8° |
| C21 | C22 | C23 | 126.2° | 120.0° |
| C22 | C21 | C20 | 125.6° | 120.0° |
| C22 | C21 | H211 | 117.2° | 120.0° |
| C21 | C22 | H221 | 116.9° | 120.0° |
| C22 | C23 | N24 | 116.0° | 120.0° |
| C22 | C23 | O85 | 122.6° | 120.0° |
| C23 | C22 | H221 | 116.9° | 120.1° |
| N24 | C25 | C26 | 114.0° | 109.5° |
| C25 | N24 | C23 | 125.4° | 120.0° |
| N24 | C25 | H252 | 108.3° | 109.4° |
| N24 | C25 | H251 | 108.3° | 109.5° |
| C25 | N24 | H241 | 117.3° | 120.0° |
| C25 | C26 | O27 | 110.0° | 109.5° |
| C26 | C25 | H252 | 108.3° | 109.5° |
| C26 | C25 | H251 | 108.3° | 109.5° |
| C25 | C26 | H261 | 109.3° | 109.5° |
| C25 | C26 | H262 | 109.3° | 109.5° |
| C26 | O27 | C28 | 115.6° | 114.0° |
| O27 | C26 | H261 | 109.3° | 109.5° |
| O27 | C26 | H262 | 109.4° | 109.4° |
| O27 | C28 | C29 | 109.9° | 109.5° |
| O27 | C28 | H282 | 109.3° | 109.5° |
| O27 | C28 | H281 | 109.4° | 109.5° |
| C28 | C29 | O30 | 111.1° | 109.5° |
| C29 | C28 | H282 | 109.3° | 109.4° |
| C29 | C28 | H281 | 109.3° | 109.4° |
| C28 | C29 | H291 | 109.1° | 109.5° |
| C28 | C29 | H292 | 109.1° | 109.5° |
| C29 | O30 | C31 | 115.5° | 114.0° |
| O30 | C29 | H291 | 109.1° | 109.5° |
| O30 | C29 | H292 | 109.1° | 109.5° |
| O30 | C31 | C32 | 110.4° | 109.4° |
| O30 | C31 | H312 | 109.2° | 109.5° |
| O30 | C31 | H311 | 109.3° | 109.5° |
| C31 | C32 | O33 | 112.3° | 109.5° |
| C32 | C31 | H312 | 109.2° | 109.5° |
| C32 | C31 | H311 | 109.2° | 109.5° |
| C31 | C32 | H321 | 108.8° | 109.5° |
| C31 | C32 | H322 | 108.7° | 109.5° |
| C32 | O33 | C34 | 114.7° | 114.0° |
| O33 | C32 | H321 | 108.8° | 109.4° |
| O33 | C32 | H322 | 108.8° | 109.5° |
| O33 | C34 | C35 | 108.5° | 109.4° |
| O33 | C34 | H342 | 109.7° | 109.5° |
| O33 | C34 | H341 | 109.7° | 109.5° |
| C34 | C35 | O36 | 109.5° | 109.5° |
| C35 | C34 | H342 | 109.7° | 109.5° |
| C35 | C34 | H341 | 109.7° | 109.5° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.4° | 109.5° |
| C35 | O36 | C37 | 112.9° | 114.0° |
| O36 | C35 | H351 | 109.5° | 109.4° |
| O36 | C35 | H352 | 109.5° | 109.5° |
| O36 | C37 | C38 | 112.3° | 109.5° |
| O36 | C37 | H372 | 108.8° | 109.5° |
| O36 | C37 | H371 | 108.7° | 109.5° |
| C37 | C38 | O39 | 110.5° | 109.5° |
| C38 | C37 | H372 | 108.8° | 109.5° |
| C38 | C37 | H371 | 108.8° | 109.5° |
| C37 | C38 | H381 | 109.2° | 109.5° |
| C37 | C38 | H382 | 109.2° | 109.5° |
| C38 | O39 | C40 | 111.4° | 114.0° |
| O39 | C38 | H381 | 109.2° | 109.4° |
| O39 | C38 | H382 | 109.2° | 109.5° |
| O39 | C40 | C41 | 110.8° | 109.4° |
| O39 | C40 | H402 | 109.1° | 109.5° |
| O39 | C40 | H401 | 109.1° | 109.5° |
| C40 | C41 | O42 | 114.5° | 109.5° |
| C41 | C40 | H402 | 109.1° | 109.5° |
| C41 | C40 | H401 | 109.1° | 109.4° |
| C40 | C41 | H411 | 108.2° | 109.5° |
| C40 | C41 | H412 | 108.2° | 109.5° |
| C41 | O42 | C43 | 114.2° | 114.0° |
| O42 | C41 | H411 | 108.2° | 109.5° |
| O42 | C41 | H412 | 108.2° | 109.5° |
| O42 | C43 | C44 | 109.4° | 109.4° |
| O42 | C43 | H432 | 109.5° | 109.5° |
| O42 | C43 | H431 | 109.5° | 109.5° |
| C43 | C44 | O45 | 109.5° | 109.5° |
| C44 | C43 | H432 | 109.5° | 109.5° |
| C44 | C43 | H431 | 109.5° | 109.5° |
| C43 | C44 | H441 | 109.5° | 109.4° |
| C43 | C44 | H442 | 109.5° | 109.5° |
| C44 | O45 | C46 | 117.4° | 114.0° |
| O45 | C44 | H441 | 109.5° | 109.5° |
| O45 | C44 | H442 | 109.5° | 109.5° |
| O45 | C46 | C47 | 114.5° | 109.5° |
| O45 | C46 | H461 | 108.2° | 109.5° |
| O45 | C46 | H462 | 108.2° | 109.4° |
| C46 | C47 | O48 | 110.9° | 109.5° |
| C47 | C46 | H461 | 108.2° | 109.5° |
| C47 | C46 | H462 | 108.2° | 109.5° |
| C46 | C47 | H472 | 109.1° | 109.5° |
| C46 | C47 | H471 | 109.1° | 109.4° |
| C47 | O48 | C49 | 116.3° | 114.0° |
| O48 | C47 | H472 | 109.1° | 109.5° |
| O48 | C47 | H471 | 109.1° | 109.4° |
| O48 | C49 | C50 | 110.0° | 109.5° |
| O48 | C49 | H492 | 109.3° | 109.4° |
| O48 | C49 | H491 | 109.3° | 109.5° |
| C49 | C50 | N51 | 113.2° | 109.5° |
| C50 | C49 | H492 | 109.4° | 109.5° |
| C50 | C49 | H491 | 109.3° | 109.5° |
| C49 | C50 | H501 | 108.5° | 109.4° |
| C49 | C50 | H502 | 108.5° | 109.4° |
| C50 | N51 | C52 | 123.7° | 119.9° |
| N51 | C50 | H501 | 108.5° | 109.5° |
| N51 | C50 | H502 | 108.5° | 109.5° |
| C50 | N51 | H511 | 118.2° | 120.0° |
| N51 | C52 | C53 | 115.8° | 119.9° |
| N51 | C52 | O84 | 121.3° | 120.0° |
| C52 | N51 | H511 | 118.1° | 120.0° |
| C53 | C54 | C55 | 127.2° | 120.0° |
| C54 | C53 | C52 | 124.9° | 120.0° |
| C54 | C53 | H531 | 117.6° | 120.0° |
| C53 | C54 | H541 | 116.4° | 120.0° |
| C54 | C55 | C56 | 134.7° | 126.0° |
| C54 | C55 | N83 | 119.7° | 125.9° |
| C55 | C54 | H541 | 116.4° | 120.0° |
| C55 | C56 | C57 | 126.3° | 127.1° |
| C55 | C56 | C65 | 109.2° | 105.8° |
| C56 | C55 | N83 | 105.6° | 108.1° |
| C57 | C58 | C59 | 120.7° | 119.9° |
| C58 | C57 | C56 | 119.9° | 120.2° |
| C58 | C57 | C63 | 118.6° | 119.7° |
| C57 | C58 | H581 | 119.6° | 120.0° |
| C58 | C59 | C60 | 120.0° | 120.2° |
| C59 | C58 | H581 | 119.7° | 120.1° |
| C58 | C59 | H591 | 120.0° | 119.9° |
| C59 | C60 | CL61 | 119.4° | 119.9° |
| C59 | C60 | C62 | 120.2° | 120.3° |
| C60 | C59 | H591 | 120.0° | 119.9° |
| CL61 | C60 | C62 | 120.4° | 119.8° |
| C60 | C62 | C63 | 120.0° | 120.1° |
| C60 | C62 | H621 | 120.0° | 120.0° |
| C62 | C63 | F64 | 119.6° | 120.1° |
| C62 | C63 | C57 | 120.5° | 119.8° |
| C63 | C62 | H621 | 120.0° | 120.0° |
| F64 | C63 | C57 | 119.9° | 120.1° |
| C57 | C56 | C65 | 124.3° | 127.1° |
| C56 | C57 | C63 | 121.4° | 120.1° |
| C56 | C65 | C66 | 129.2° | 126.9° |
| C56 | C65 | C82 | 106.3° | 106.4° |
| N67 | C68 | C69 | 114.4° | 109.5° |
| N67 | C68 | C77 | 113.8° | 109.5° |
| C68 | N67 | C66 | 124.7° | 120.0° |
| N67 | C68 | H681 | 107.0° | 109.5° |
| C68 | N67 | H671 | 117.7° | 120.0° |
| C69 | C70 | C71 | 120.6° | 120.1° |
| C70 | C69 | C68 | 119.4° | 120.0° |
| C70 | C69 | C76 | 118.8° | 120.1° |
| C69 | C70 | H701 | 119.7° | 120.0° |
| C70 | C71 | C72 | 120.2° | 120.0° |
| C71 | C70 | H701 | 119.7° | 120.0° |
| C70 | C71 | H711 | 119.9° | 120.0° |
| C71 | C72 | F73 | 119.3° | 120.0° |
| C71 | C72 | C74 | 119.8° | 119.9° |
| C72 | C71 | H711 | 119.9° | 120.0° |
| F73 | C72 | C74 | 120.9° | 120.0° |
| C72 | C74 | CL75 | 121.0° | 120.0° |
| C72 | C74 | C76 | 119.9° | 120.0° |
| CL75 | C74 | C76 | 119.0° | 120.0° |
| C74 | C76 | C69 | 120.7° | 120.0° |
| C74 | C76 | H761 | 119.7° | 120.0° |
| C69 | C68 | C77 | 108.4° | 109.5° |
| C68 | C69 | C76 | 121.7° | 119.9° |
| C69 | C68 | H681 | 106.4° | 109.5° |
| C68 | C77 | C78 | 115.5° | 109.5° |
| C77 | C68 | H681 | 106.3° | 109.4° |
| C68 | C77 | H771 | 108.0° | 109.4° |
| C68 | C77 | H772 | 108.0° | 109.5° |
| C77 | C78 | N79 | 117.6° | 120.0° |
| C77 | C78 | O80 | 120.1° | 120.0° |
| C78 | C77 | H771 | 107.9° | 109.5° |
| C78 | C77 | H772 | 107.9° | 109.5° |
| N79 | C78 | O80 | 122.3° | 120.0° |
| C78 | N79 | H792 | 120.0° | 120.0° |
| C78 | N79 | H791 | 120.0° | 120.0° |
| N67 | C66 | O81 | 121.7° | 120.0° |
| N67 | C66 | C65 | 118.6° | 120.0° |
| C66 | N67 | H671 | 117.6° | 120.0° |
| O81 | C66 | C65 | 119.7° | 120.0° |
| C66 | C65 | C82 | 124.4° | 126.8° |
| C65 | C82 | N83 | 108.1° | 109.3° |
| C65 | C82 | H821 | 126.0° | 125.4° |
| C82 | N83 | C55 | 110.6° | 110.5° |
| N83 | C82 | H821 | 126.0° | 125.4° |
| C82 | N83 | H831 | 124.7° | 124.7° |
| C53 | C52 | O84 | 122.8° | 120.0° |
| C52 | C53 | H531 | 117.5° | 120.0° |
| N24 | C23 | O85 | 121.3° | 120.0° |
| C23 | N24 | H241 | 117.3° | 120.0° |
| C21 | C20 | C86 | 134.8° | 126.0° |
| C20 | C21 | H211 | 117.2° | 120.0° |
| C20 | C86 | C87 | 123.1° | 127.1° |
| C20 | C86 | C17 | 109.3° | 105.8° |
| C86 | C87 | C88 | 119.7° | 120.2° |
| C87 | C86 | C17 | 127.5° | 127.1° |
| C86 | C87 | C93 | 120.3° | 120.1° |
| C87 | C88 | C89 | 119.9° | 119.9° |
| C88 | C87 | C93 | 119.9° | 119.7° |
| C87 | C88 | H881 | 120.0° | 120.0° |
| C88 | C89 | C90 | 120.1° | 120.2° |
| C89 | C88 | H881 | 120.1° | 120.0° |
| C88 | C89 | H891 | 120.0° | 119.9° |
| C89 | C90 | CL91 | 119.6° | 119.9° |
| C89 | C90 | C92 | 120.2° | 120.3° |
| C90 | C89 | H891 | 119.9° | 119.9° |
| CL91 | C90 | C92 | 120.3° | 119.8° |
| C90 | C92 | C93 | 119.9° | 120.1° |
| C90 | C92 | H921 | 120.0° | 119.9° |
| C92 | C93 | F94 | 119.5° | 120.1° |
| C92 | C93 | C87 | 120.0° | 119.9° |
| C93 | C92 | H921 | 120.0° | 120.0° |
| F94 | C93 | C87 | 120.5° | 120.1° |
| C05 | C12 | H121 | 119.8° | 120.0° |
| C55 | N83 | H831 | 124.7° | 124.8° |
| C69 | C76 | H761 | 119.7° | 120.0° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.4° | 109.4° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.4° |
| H432 | C43 | H431 | 109.4° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H461 | C46 | H462 | 109.4° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.4° |
| H492 | C49 | H491 | 109.5° | 109.5° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H771 | C77 | H772 | 109.5° | 109.5° |
| H152 | N15 | H151 | 120.0° | 120.1° |
| H792 | N79 | H791 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 4.7° | 5.0° |
| O01 | C02 | N03 | C17 | 179.0° | 180.0° |
| O01 | C02 | C17 | C18 | 167.9° | 179.7° |
| O01 | C02 | C17 | C86 | 9.1° | 0.0° |
| O01 | C02 | N03 | H031 | 175.2° | 175.0° |
| N03 | C04 | C05 | C06 | 156.4° | 40.1° |
| N03 | C04 | C05 | C13 | 129.1° | 120.0° |
| N03 | C04 | C05 | H041 | 117.5° | 119.9° |
| N03 | C04 | C13 | H041 | 116.9° | 120.0° |
| N03 | C04 | C13 | C14 | 56.0° | 65.7° |
| C04 | N03 | C02 | H031 | 180.0° | 179.9° |
| C04 | N03 | C02 | C17 | 174.3° | 175.0° |
| N03 | C04 | C05 | C12 | 26.1° | 140.0° |
| N03 | C04 | C13 | H131 | 64.9° | 174.4° |
| N03 | C04 | C13 | H132 | 176.9° | 54.3° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 1.1° | 0.1° |
| C06 | C05 | C12 | C10 | 2.3° | 0.0° |
| C06 | C05 | C04 | C12 | 177.5° | 179.9° |
| C06 | C05 | C04 | C13 | 74.4° | 80.0° |
| C06 | C05 | C12 | H121 | 177.7° | 180.0° |
| C06 | C05 | C04 | H041 | 38.9° | 160.0° |
| C05 | C06 | C07 | H071 | 178.9° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | F09 | 177.9° | 179.9° |
| C06 | C07 | C08 | C10 | 1.3° | 0.0° |
| C07 | C06 | C05 | C04 | 174.7° | 180.0° |
| C07 | C06 | C05 | C12 | 2.9° | 0.1° |
| C07 | C08 | F09 | C10 | 179.2° | 179.9° |
| C07 | C08 | C10 | CL11 | 179.9° | 179.7° |
| C07 | C08 | C10 | C12 | 1.9° | 0.1° |
| C08 | C07 | C06 | H061 | 178.8° | 180.0° |
| F09 | C08 | C10 | CL11 | 0.9° | 0.3° |
| F09 | C08 | C10 | C12 | 177.3° | 180.0° |
| F09 | C08 | C07 | H071 | 2.0° | 0.0° |
| C08 | C10 | CL11 | C12 | 178.2° | 179.7° |
| C08 | C10 | C12 | C05 | 0.1° | 0.1° |
| C08 | C10 | C12 | H121 | 179.9° | 180.0° |
| C10 | C08 | C07 | H071 | 178.7° | 179.9° |
| CL11 | C10 | C12 | C05 | 178.3° | 179.7° |
| CL11 | C10 | C12 | H121 | 1.7° | 0.3° |
| C10 | C12 | C05 | C04 | 175.2° | 179.9° |
| C10 | C12 | C05 | H121 | 180.0° | 180.0° |
| C05 | C04 | C13 | H041 | 113.5° | 120.0° |
| C05 | C04 | C13 | C14 | 174.4° | 174.3° |
| C05 | C04 | N03 | C02 | 84.9° | 88.9° |
| C04 | C05 | C12 | H121 | 4.8° | 0.1° |
| C05 | C04 | C13 | H131 | 64.7° | 54.4° |
| C05 | C04 | C13 | H132 | 53.5° | 65.7° |
| C04 | C05 | C06 | H061 | 5.3° | 0.0° |
| C05 | C04 | N03 | H031 | 95.2° | 91.2° |
| C04 | C13 | C14 | H131 | 120.9° | 120.0° |
| C04 | C13 | C14 | H132 | 120.9° | 120.0° |
| C04 | C13 | C14 | N15 | 98.3° | 175.1° |
| C04 | C13 | C14 | O16 | 80.2° | 4.9° |
| C13 | C04 | N03 | C02 | 148.9° | 151.1° |
| C13 | C04 | C05 | C12 | 103.1° | 100.0° |
| C04 | C13 | H131 | H132 | 117.1° | 120.0° |
| C13 | C04 | N03 | H031 | 31.1° | 28.8° |
| C13 | C14 | N15 | O16 | 178.5° | 180.0° |
| C14 | C13 | H131 | H132 | 117.1° | 120.0° |
| C14 | C13 | C04 | H041 | 60.9° | 54.3° |
| C13 | C14 | N15 | H152 | 178.4° | 0.0° |
| C13 | C14 | N15 | H151 | 1.5° | 180.0° |
| N15 | C14 | C13 | H131 | 22.6° | 55.1° |
| N15 | C14 | C13 | H132 | 140.8° | 64.9° |
| C14 | N15 | H152 | H151 | 180.0° | 180.0° |
| O16 | C14 | C13 | H131 | 158.9° | 124.9° |
| O16 | C14 | C13 | H132 | 40.7° | 115.1° |
| O16 | C14 | N15 | H152 | 0.0° | 180.0° |
| O16 | C14 | N15 | H151 | 180.0° | 0.0° |
| N03 | C02 | C17 | C18 | 11.1° | 0.3° |
| N03 | C02 | C17 | C86 | 171.8° | 180.0° |
| C02 | N03 | C04 | H041 | 32.3° | 31.1° |
| C02 | C17 | C18 | C86 | 177.5° | 179.8° |
| C02 | C17 | C18 | N19 | 179.9° | 180.0° |
| C02 | C17 | C86 | C20 | 179.6° | 180.0° |
| C02 | C17 | C86 | C87 | 3.9° | 0.1° |
| C02 | C17 | C18 | H181 | 0.1° | 0.0° |
| C17 | C02 | N03 | H031 | 5.7° | 5.0° |
| C17 | C18 | N19 | H181 | 180.0° | 180.0° |
| C17 | C18 | N19 | C20 | 2.0° | 0.1° |
| C18 | C17 | C86 | C20 | 2.0° | 0.2° |
| C18 | C17 | C86 | C87 | 178.5° | 179.7° |
| C17 | C18 | N19 | H191 | 178.1° | 179.9° |
| C18 | N19 | C20 | H191 | 180.0° | 180.0° |
| C18 | N19 | C20 | C21 | 175.1° | 180.0° |
| C18 | N19 | C20 | C86 | 0.7° | 0.0° |
| N19 | C18 | C17 | C86 | 2.4° | 0.2° |
| N19 | C20 | C21 | C22 | 158.5° | 0.0° |
| N19 | C20 | C21 | C86 | 174.3° | 180.0° |
| N19 | C20 | C86 | C87 | 177.5° | 179.8° |
| N19 | C20 | C86 | C17 | 0.8° | 0.2° |
| C20 | N19 | C18 | H181 | 178.0° | 179.9° |
| N19 | C20 | C21 | H211 | 21.5° | 180.0° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | N24 | 0.3° | 180.0° |
| C21 | C22 | C23 | O85 | 177.0° | 0.0° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C22 | C21 | C20 | C86 | 15.9° | 180.0° |
| C22 | C23 | N24 | C25 | 168.0° | 180.0° |
| C22 | C23 | N24 | O85 | 176.7° | 180.0° |
| C23 | C22 | C21 | C20 | 177.8° | 180.0° |
| C23 | C22 | C21 | H211 | 2.2° | 0.0° |
| C22 | C23 | N24 | H241 | 12.0° | 0.0° |
| N24 | C25 | C26 | H252 | 120.7° | 120.0° |
| N24 | C25 | C26 | H251 | 120.7° | 120.1° |
| N24 | C25 | C26 | O27 | 155.8° | 65.0° |
| C25 | N24 | C23 | H241 | 180.0° | 180.0° |
| C25 | N24 | C23 | O85 | 8.7° | 0.0° |
| N24 | C25 | H252 | H251 | 117.9° | 120.0° |
| N24 | C25 | C26 | H261 | 84.1° | 175.0° |
| N24 | C25 | C26 | H262 | 35.7° | 55.0° |
| C25 | C26 | O27 | H261 | 120.1° | 120.0° |
| C25 | C26 | O27 | H262 | 120.1° | 120.0° |
| C25 | C26 | O27 | C28 | 78.2° | 180.0° |
| C26 | C25 | N24 | C23 | 58.9° | 180.0° |
| C26 | C25 | H252 | H251 | 117.9° | 120.0° |
| C25 | C26 | H261 | H262 | 119.7° | 120.0° |
| C26 | C25 | N24 | H241 | 121.1° | 0.0° |
| C26 | O27 | C28 | C29 | 92.9° | 180.0° |
| O27 | C26 | C25 | H252 | 35.1° | 175.0° |
| O27 | C26 | C25 | H251 | 83.5° | 55.1° |
| O27 | C26 | H261 | H262 | 119.8° | 120.0° |
| C26 | O27 | C28 | H282 | 147.0° | 60.0° |
| C26 | O27 | C28 | H281 | 27.1° | 60.0° |
| O27 | C28 | C29 | H282 | 120.1° | 120.1° |
| O27 | C28 | C29 | H281 | 120.1° | 120.0° |
| O27 | C28 | C29 | O30 | 167.1° | 65.0° |
| C28 | O27 | C26 | H261 | 41.8° | 60.0° |
| C28 | O27 | C26 | H262 | 161.7° | 60.0° |
| O27 | C28 | H282 | H281 | 119.8° | 120.1° |
| O27 | C28 | C29 | H291 | 72.7° | 175.0° |
| O27 | C28 | C29 | H292 | 46.8° | 55.0° |
| C28 | C29 | O30 | H291 | 120.2° | 120.0° |
| C28 | C29 | O30 | H292 | 120.3° | 120.0° |
| C28 | C29 | O30 | C31 | 89.6° | 180.0° |
| C29 | C28 | H282 | H281 | 119.8° | 119.9° |
| C28 | C29 | H291 | H292 | 119.3° | 120.0° |
| C29 | O30 | C31 | C32 | 79.2° | 180.0° |
| O30 | C29 | C28 | H282 | 47.0° | 175.0° |
| O30 | C29 | C28 | H281 | 72.9° | 55.0° |
| O30 | C29 | H291 | H292 | 119.2° | 120.0° |
| C29 | O30 | C31 | H312 | 160.6° | 60.0° |
| C29 | O30 | C31 | H311 | 40.9° | 60.0° |
| O30 | C31 | C32 | H312 | 120.1° | 120.0° |
| O30 | C31 | C32 | H311 | 120.2° | 120.0° |
| O30 | C31 | C32 | O33 | 154.6° | 65.0° |
| C31 | O30 | C29 | H291 | 30.6° | 60.0° |
| C31 | O30 | C29 | H292 | 150.1° | 60.0° |
| O30 | C31 | H312 | H311 | 119.6° | 120.0° |
| O30 | C31 | C32 | H321 | 84.9° | 175.0° |
| O30 | C31 | C32 | H322 | 34.2° | 55.0° |
| C31 | C32 | O33 | H321 | 120.4° | 120.0° |
| C31 | C32 | O33 | H322 | 120.4° | 120.1° |
| C31 | C32 | O33 | C34 | 77.4° | 180.0° |
| C32 | C31 | H312 | H311 | 119.5° | 120.1° |
| C31 | C32 | H321 | H322 | 118.7° | 120.0° |
| C32 | O33 | C34 | C35 | 175.2° | 180.0° |
| O33 | C32 | C31 | H312 | 34.5° | 175.0° |
| O33 | C32 | C31 | H311 | 85.2° | 55.0° |
| O33 | C32 | H321 | H322 | 118.7° | 119.9° |
| C32 | O33 | C34 | H342 | 65.0° | 60.0° |
| C32 | O33 | C34 | H341 | 55.4° | 60.0° |
| O33 | C34 | C35 | H342 | 119.8° | 120.0° |
| O33 | C34 | C35 | H341 | 119.9° | 120.0° |
| O33 | C34 | C35 | O36 | 164.8° | 65.0° |
| C34 | O33 | C32 | H321 | 43.0° | 59.9° |
| C34 | O33 | C32 | H322 | 162.2° | 60.0° |
| O33 | C34 | H342 | H341 | 120.5° | 120.0° |
| O33 | C34 | C35 | H351 | 44.8° | 175.0° |
| O33 | C34 | C35 | H352 | 75.3° | 55.0° |
| C34 | C35 | O36 | H351 | 120.0° | 120.0° |
| C34 | C35 | O36 | H352 | 120.0° | 120.0° |
| C34 | C35 | O36 | C37 | 173.4° | 180.0° |
| C35 | C34 | H342 | H341 | 120.4° | 120.0° |
| C34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C35 | O36 | C37 | C38 | 72.3° | 180.0° |
| O36 | C35 | C34 | H342 | 75.4° | 175.0° |
| O36 | C35 | C34 | H341 | 44.9° | 55.0° |
| O36 | C35 | H351 | H352 | 120.0° | 120.0° |
| C35 | O36 | C37 | H372 | 167.2° | 60.0° |
| C35 | O36 | C37 | H371 | 48.1° | 60.0° |
| O36 | C37 | C38 | H372 | 120.4° | 120.0° |
| O36 | C37 | C38 | H371 | 120.4° | 120.0° |
| O36 | C37 | C38 | O39 | 92.5° | 65.0° |
| C37 | O36 | C35 | H351 | 53.4° | 60.0° |
| C37 | O36 | C35 | H352 | 66.7° | 60.0° |
| O36 | C37 | H372 | H371 | 118.7° | 120.0° |
| O36 | C37 | C38 | H381 | 27.7° | 175.0° |
| O36 | C37 | C38 | H382 | 147.4° | 55.0° |
| C37 | C38 | O39 | H381 | 120.1° | 120.0° |
| C37 | C38 | O39 | H382 | 120.2° | 120.1° |
| C37 | C38 | O39 | C40 | 168.1° | 180.0° |
| C38 | C37 | H372 | H371 | 118.7° | 120.0° |
| C37 | C38 | H381 | H382 | 119.6° | 120.0° |
| C38 | O39 | C40 | C41 | 172.3° | 180.0° |
| O39 | C38 | C37 | H372 | 147.1° | 175.0° |
| O39 | C38 | C37 | H371 | 27.9° | 55.0° |
| O39 | C38 | H381 | H382 | 119.5° | 120.0° |
| C38 | O39 | C40 | H402 | 67.5° | 60.0° |
| C38 | O39 | C40 | H401 | 52.1° | 60.0° |
| O39 | C40 | C41 | H402 | 120.2° | 120.0° |
| O39 | C40 | C41 | H401 | 120.2° | 120.0° |
| O39 | C40 | C41 | O42 | 86.5° | 65.0° |
| C40 | O39 | C38 | H381 | 71.7° | 60.0° |
| C40 | O39 | C38 | H382 | 48.0° | 60.0° |
| O39 | C40 | H402 | H401 | 119.4° | 120.1° |
| O39 | C40 | C41 | H411 | 152.8° | 175.0° |
| O39 | C40 | C41 | H412 | 34.3° | 55.0° |
| C40 | C41 | O42 | H411 | 120.7° | 120.0° |
| C40 | C41 | O42 | H412 | 120.7° | 120.0° |
| C40 | C41 | O42 | C43 | 74.6° | 180.0° |
| C41 | C40 | H402 | H401 | 119.4° | 120.0° |
| C40 | C41 | H411 | H412 | 117.7° | 120.0° |
| C41 | O42 | C43 | C44 | 173.1° | 180.0° |
| O42 | C41 | C40 | H402 | 33.8° | 175.0° |
| O42 | C41 | C40 | H401 | 153.3° | 55.0° |
| O42 | C41 | H411 | H412 | 117.7° | 120.0° |
| C41 | O42 | C43 | H432 | 66.9° | 60.0° |
| C41 | O42 | C43 | H431 | 53.1° | 60.0° |
| O42 | C43 | C44 | H432 | 120.0° | 120.0° |
| O42 | C43 | C44 | H431 | 120.0° | 120.0° |
| O42 | C43 | C44 | O45 | 155.5° | 65.0° |
| C43 | O42 | C41 | H411 | 46.1° | 60.0° |
| C43 | O42 | C41 | H412 | 164.6° | 60.0° |
| O42 | C43 | H432 | H431 | 120.0° | 120.0° |
| O42 | C43 | C44 | H441 | 84.6° | 175.0° |
| O42 | C43 | C44 | H442 | 35.4° | 55.0° |
| C43 | C44 | O45 | H441 | 120.0° | 120.0° |
| C43 | C44 | O45 | H442 | 120.0° | 120.1° |
| C43 | C44 | O45 | C46 | 109.6° | 180.0° |
| C44 | C43 | H432 | H431 | 120.0° | 120.0° |
| C43 | C44 | H441 | H442 | 120.0° | 120.0° |
| C44 | O45 | C46 | C47 | 64.1° | 180.0° |
| O45 | C44 | C43 | H432 | 35.4° | 175.0° |
| O45 | C44 | C43 | H431 | 84.5° | 54.9° |
| O45 | C44 | H441 | H442 | 120.0° | 120.0° |
| C44 | O45 | C46 | H461 | 56.7° | 59.9° |
| C44 | O45 | C46 | H462 | 175.2° | 60.0° |
| O45 | C46 | C47 | H461 | 120.7° | 120.0° |
| O45 | C46 | C47 | H462 | 120.8° | 120.0° |
| O45 | C46 | C47 | O48 | 172.8° | 64.9° |
| C46 | O45 | C44 | H441 | 10.4° | 60.0° |
| C46 | O45 | C44 | H442 | 130.4° | 59.9° |
| O45 | C46 | H461 | H462 | 117.7° | 120.0° |
| O45 | C46 | C47 | H472 | 52.6° | 175.0° |
| O45 | C46 | C47 | H471 | 67.0° | 55.0° |
| C46 | C47 | O48 | H472 | 120.2° | 120.1° |
| C46 | C47 | O48 | H471 | 120.2° | 120.0° |
| C46 | C47 | O48 | C49 | 120.4° | 180.0° |
| C47 | C46 | H461 | H462 | 117.7° | 120.0° |
| C46 | C47 | H472 | H471 | 119.4° | 120.0° |
| C47 | O48 | C49 | C50 | 83.9° | 180.0° |
| O48 | C47 | C46 | H461 | 66.5° | 175.0° |
| O48 | C47 | C46 | H462 | 52.0° | 55.0° |
| O48 | C47 | H472 | H471 | 119.3° | 120.0° |
| C47 | O48 | C49 | H492 | 156.1° | 60.0° |
| C47 | O48 | C49 | H491 | 36.2° | 60.0° |
| O48 | C49 | C50 | H492 | 120.1° | 119.9° |
| O48 | C49 | C50 | H491 | 120.0° | 120.0° |
| O48 | C49 | C50 | N51 | 176.7° | 65.0° |
| C49 | O48 | C47 | H472 | 119.4° | 60.0° |
| C49 | O48 | C47 | H471 | 0.1° | 60.0° |
| O48 | C49 | H492 | H491 | 119.8° | 120.0° |
| O48 | C49 | C50 | H501 | 62.8° | 175.0° |
| O48 | C49 | C50 | H502 | 56.1° | 55.0° |
| C49 | C50 | N51 | H501 | 120.6° | 120.0° |
| C49 | C50 | N51 | H502 | 120.6° | 120.0° |
| C49 | C50 | N51 | C52 | 122.8° | 180.0° |
| C50 | C49 | H492 | H491 | 119.8° | 120.0° |
| C49 | C50 | H501 | H502 | 118.3° | 119.9° |
| C49 | C50 | N51 | H511 | 57.2° | 0.1° |
| C50 | N51 | C52 | H511 | 180.0° | 180.0° |
| C50 | N51 | C52 | C53 | 165.5° | 180.0° |
| C50 | N51 | C52 | O84 | 15.0° | 0.1° |
| N51 | C50 | C49 | H492 | 56.6° | 175.0° |
| N51 | C50 | C49 | H491 | 63.3° | 55.0° |
| N51 | C50 | H501 | H502 | 118.3° | 120.1° |
| N51 | C52 | C53 | C54 | 3.4° | 180.0° |
| N51 | C52 | C53 | O84 | 179.6° | 180.0° |
| C52 | N51 | C50 | H501 | 2.3° | 60.0° |
| C52 | N51 | C50 | H502 | 116.6° | 60.0° |
| N51 | C52 | C53 | H531 | 176.6° | 0.0° |
| C53 | C54 | C55 | H541 | 180.0° | 180.0° |
| C53 | C54 | C55 | C56 | 0.3° | 179.7° |
| C54 | C53 | C52 | H531 | 180.0° | 180.0° |
| C54 | C53 | C52 | O84 | 177.0° | 0.0° |
| C53 | C54 | C55 | N83 | 179.5° | 0.0° |
| C54 | C55 | C56 | N83 | 179.3° | 179.7° |
| C54 | C55 | C56 | C57 | 1.2° | 0.0° |
| C54 | C55 | C56 | C65 | 174.8° | 180.0° |
| C54 | C55 | N83 | C82 | 175.9° | 179.8° |
| C55 | C54 | C53 | C52 | 174.1° | 180.0° |
| C55 | C54 | C53 | H531 | 5.9° | 0.0° |
| C54 | C55 | N83 | H831 | 4.1° | 0.1° |
| C55 | C56 | C57 | C58 | 69.2° | 90.2° |
| C55 | C56 | C57 | C65 | 175.4° | 179.9° |
| C55 | C56 | C65 | C66 | 173.7° | 180.0° |
| C55 | C56 | C65 | C82 | 4.0° | 0.0° |
| C56 | C55 | N83 | C82 | 3.4° | 0.5° |
| C55 | C56 | C57 | C63 | 110.8° | 90.0° |
| C56 | C55 | C54 | H541 | 179.7° | 0.3° |
| C56 | C55 | N83 | H831 | 176.5° | 179.8° |
| C57 | C58 | C59 | H581 | 180.0° | 179.9° |
| C57 | C58 | C59 | C60 | 0.3° | 0.1° |
| C58 | C57 | C63 | C62 | 1.1° | 0.5° |
| C58 | C57 | C63 | F64 | 178.9° | 179.7° |
| C58 | C57 | C56 | C63 | 179.9° | 179.8° |
| C58 | C57 | C56 | C65 | 106.2° | 89.7° |
| C57 | C58 | C59 | H591 | 179.8° | 180.0° |
| C58 | C59 | C60 | H591 | 180.0° | 179.9° |
| C58 | C59 | C60 | CL61 | 178.7° | 180.0° |
| C58 | C59 | C60 | C62 | 0.2° | 0.1° |
| C59 | C58 | C57 | C56 | 179.8° | 180.0° |
| C59 | C58 | C57 | C63 | 0.2° | 0.2° |
| C59 | C60 | CL61 | C62 | 178.8° | 179.9° |
| C59 | C60 | C62 | C63 | 1.1° | 0.2° |
| C60 | C59 | C58 | H581 | 179.7° | 180.0° |
| C59 | C60 | C62 | H621 | 179.0° | 180.0° |
| CL61 | C60 | C62 | C63 | 177.8° | 179.7° |
| CL61 | C60 | C59 | H591 | 1.3° | 0.1° |
| CL61 | C60 | C62 | H621 | 2.2° | 0.1° |
| C60 | C62 | C63 | H621 | 180.0° | 179.8° |
| C60 | C62 | C63 | F64 | 178.5° | 179.7° |
| C60 | C62 | C63 | C57 | 1.5° | 0.5° |
| C62 | C60 | C59 | H591 | 179.8° | 180.0° |
| C62 | C63 | F64 | C57 | 180.0° | 179.8° |
| C62 | C63 | C57 | C56 | 178.9° | 179.7° |
| F64 | C63 | C57 | C56 | 1.0° | 0.0° |
| F64 | C63 | C62 | H621 | 1.5° | 0.1° |
| C57 | C56 | C65 | C66 | 2.3° | 0.1° |
| C57 | C56 | C65 | C82 | 180.0° | 179.9° |
| C57 | C56 | C55 | N83 | 179.5° | 179.7° |
| C56 | C57 | C58 | H581 | 0.1° | 0.0° |
| C56 | C65 | C66 | N67 | 173.2° | 180.0° |
| C56 | C65 | C66 | O81 | 6.7° | 0.1° |
| C56 | C65 | C66 | C82 | 177.3° | 180.0° |
| C56 | C65 | C82 | N83 | 1.7° | 0.3° |
| C65 | C56 | C55 | N83 | 4.5° | 0.3° |
| C65 | C56 | C57 | C63 | 73.8° | 90.1° |
| C56 | C65 | C82 | H821 | 178.2° | 179.9° |
| N67 | C68 | C69 | C70 | 156.3° | 39.7° |
| N67 | C68 | C69 | C77 | 128.1° | 120.0° |
| N67 | C68 | C69 | H681 | 117.9° | 120.0° |
| N67 | C68 | C77 | H681 | 117.5° | 120.0° |
| N67 | C68 | C77 | C78 | 51.7° | 173.8° |
| C68 | N67 | C66 | H671 | 180.0° | 179.9° |
| C68 | N67 | C66 | O81 | 4.0° | 5.0° |
| C68 | N67 | C66 | C65 | 176.1° | 175.0° |
| N67 | C68 | C69 | C76 | 26.0° | 140.0° |
| N67 | C68 | C77 | H771 | 69.2° | 53.8° |
| N67 | C68 | C77 | H772 | 172.5° | 66.2° |
| C69 | C70 | C71 | H701 | 180.0° | 179.9° |
| C69 | C70 | C71 | C72 | 0.8° | 0.0° |
| C70 | C69 | C76 | C74 | 1.9° | 0.6° |
| C70 | C69 | C68 | C76 | 177.6° | 179.7° |
| C70 | C69 | C68 | C77 | 75.5° | 80.3° |
| C70 | C69 | C68 | H681 | 38.4° | 159.7° |
| C69 | C70 | C71 | H711 | 179.2° | 179.9° |
| C70 | C69 | C76 | H761 | 178.1° | 179.7° |
| C70 | C71 | C72 | H711 | 180.0° | 179.9° |
| C70 | C71 | C72 | F73 | 178.0° | 180.0° |
| C70 | C71 | C72 | C74 | 1.2° | 0.0° |
| C71 | C70 | C69 | C68 | 175.4° | 180.0° |
| C71 | C70 | C69 | C76 | 2.3° | 0.3° |
| C71 | C72 | F73 | C74 | 179.1° | 180.0° |
| C71 | C72 | C74 | CL75 | 179.8° | 180.0° |
| C71 | C72 | C74 | C76 | 1.6° | 0.2° |
| C72 | C71 | C70 | H701 | 179.2° | 179.9° |
| F73 | C72 | C74 | CL75 | 0.7° | 0.0° |
| F73 | C72 | C74 | C76 | 177.6° | 179.8° |
| F73 | C72 | C71 | H711 | 2.0° | 0.1° |
| C72 | C74 | CL75 | C76 | 178.2° | 179.8° |
| C72 | C74 | C76 | C69 | 0.0° | 0.5° |
| C74 | C72 | C71 | H711 | 178.8° | 180.0° |
| C72 | C74 | C76 | H761 | 180.0° | 179.8° |
| CL75 | C74 | C76 | C69 | 178.3° | 179.7° |
| CL75 | C74 | C76 | H761 | 1.7° | 0.0° |
| C74 | C76 | C69 | C68 | 175.7° | 179.8° |
| C74 | C76 | C69 | H761 | 180.0° | 179.7° |
| C69 | C68 | C77 | H681 | 114.0° | 120.0° |
| C69 | C68 | C77 | C78 | 179.9° | 66.2° |
| C69 | C68 | N67 | C66 | 88.7° | 151.0° |
| C68 | C69 | C70 | H701 | 4.7° | 0.1° |
| C68 | C69 | C76 | H761 | 4.3° | 0.1° |
| C69 | C68 | C77 | H771 | 59.3° | 173.8° |
| C69 | C68 | C77 | H772 | 59.0° | 53.8° |
| C69 | C68 | N67 | H671 | 91.3° | 29.1° |
| C68 | C77 | C78 | H771 | 120.9° | 120.0° |
| C68 | C77 | C78 | H772 | 120.9° | 120.0° |
| C68 | C77 | C78 | N79 | 109.9° | 173.3° |
| C68 | C77 | C78 | O80 | 70.8° | 6.8° |
| C77 | C68 | N67 | C66 | 145.9° | 89.0° |
| C77 | C68 | C69 | C76 | 102.1° | 100.0° |
| C68 | C77 | H771 | H772 | 117.3° | 120.0° |
| C77 | C68 | N67 | H671 | 34.1° | 90.9° |
| C77 | C78 | N79 | O80 | 179.3° | 180.0° |
| C78 | C77 | C68 | H681 | 65.8° | 53.8° |
| C78 | C77 | H771 | H772 | 117.3° | 120.0° |
| C77 | C78 | N79 | H792 | 179.3° | 0.0° |
| C77 | C78 | N79 | H791 | 0.7° | 180.0° |
| N79 | C78 | C77 | H771 | 10.9° | 66.8° |
| N79 | C78 | C77 | H772 | 129.2° | 53.3° |
| C78 | N79 | H792 | H791 | 180.0° | 180.0° |
| O80 | C78 | C77 | H771 | 168.3° | 113.2° |
| O80 | C78 | C77 | H772 | 50.1° | 126.8° |
| O80 | C78 | N79 | H792 | 0.0° | 180.0° |
| O80 | C78 | N79 | H791 | 180.0° | 0.0° |
| N67 | C66 | O81 | C65 | 179.9° | 180.0° |
| N67 | C66 | C65 | C82 | 9.5° | 0.0° |
| C66 | N67 | C68 | H681 | 28.9° | 31.0° |
| O81 | C66 | C65 | C82 | 170.6° | 180.0° |
| O81 | C66 | N67 | H671 | 176.0° | 175.0° |
| C66 | C65 | C82 | N83 | 176.1° | 179.7° |
| C66 | C65 | C82 | H821 | 3.9° | 0.0° |
| C65 | C66 | N67 | H671 | 3.9° | 5.0° |
| C65 | C82 | N83 | H821 | 180.0° | 179.8° |
| C65 | C82 | N83 | C55 | 1.0° | 0.5° |
| C65 | C82 | N83 | H831 | 179.0° | 179.8° |
| C82 | N83 | C55 | H831 | 180.0° | 179.8° |
| C52 | C53 | C54 | H541 | 5.9° | 0.0° |
| C53 | C52 | N51 | H511 | 14.5° | 0.0° |
| O84 | C52 | C53 | H531 | 3.0° | 180.0° |
| O84 | C52 | N51 | H511 | 165.1° | 180.0° |
| N24 | C23 | C22 | H221 | 179.7° | 0.0° |
| C23 | N24 | C25 | H252 | 179.6° | 60.0° |
| C23 | N24 | C25 | H251 | 61.8° | 59.9° |
| O85 | C23 | C22 | H221 | 3.1° | 180.0° |
| O85 | C23 | N24 | H241 | 171.3° | 180.0° |
| C21 | C20 | C86 | C87 | 7.7° | 0.2° |
| C21 | C20 | C86 | C17 | 175.6° | 179.9° |
| C20 | C21 | C22 | H221 | 2.2° | 0.1° |
| C21 | C20 | N19 | H191 | 4.8° | 0.0° |
| C20 | C86 | C87 | C17 | 176.1° | 179.9° |
| C20 | C86 | C87 | C88 | 78.6° | 89.8° |
| C20 | C86 | C87 | C93 | 101.5° | 90.1° |
| C86 | C20 | C21 | H211 | 164.1° | 0.0° |
| C86 | C20 | N19 | H191 | 179.3° | 180.0° |
| C86 | C87 | C88 | C93 | 179.9° | 179.8° |
| C86 | C87 | C88 | C89 | 178.9° | 179.9° |
| C86 | C87 | C93 | C92 | 179.7° | 179.7° |
| C86 | C87 | C93 | F94 | 0.2° | 0.1° |
| C86 | C87 | C88 | H881 | 1.1° | 0.0° |
| C87 | C88 | C89 | H881 | 180.0° | 179.9° |
| C87 | C88 | C89 | C90 | 0.8° | 0.0° |
| C88 | C87 | C93 | C92 | 0.1° | 0.5° |
| C88 | C87 | C93 | F94 | 179.7° | 179.7° |
| C88 | C87 | C86 | C17 | 105.3° | 90.2° |
| C87 | C88 | C89 | H891 | 179.2° | 180.0° |
| C88 | C89 | C90 | H891 | 180.0° | 180.0° |
| C88 | C89 | C90 | CL91 | 178.8° | 180.0° |
| C88 | C89 | C90 | C92 | 0.2° | 0.0° |
| C89 | C88 | C87 | C93 | 0.9° | 0.3° |
| C89 | C90 | CL91 | C92 | 179.1° | 180.0° |
| C89 | C90 | C92 | C93 | 1.0° | 0.3° |
| C90 | C89 | C88 | H881 | 179.2° | 180.0° |
| C89 | C90 | C92 | H921 | 179.0° | 179.9° |
| CL91 | C90 | C92 | C93 | 178.0° | 179.7° |
| CL91 | C90 | C89 | H891 | 1.1° | 0.0° |
| CL91 | C90 | C92 | H921 | 1.9° | 0.1° |
| C90 | C92 | C93 | H921 | 180.0° | 179.8° |
| C90 | C92 | C93 | F94 | 178.7° | 179.7° |
| C90 | C92 | C93 | C87 | 0.8° | 0.5° |
| C92 | C90 | C89 | H891 | 179.8° | 180.0° |
| C92 | C93 | F94 | C87 | 179.5° | 179.8° |
| F94 | C93 | C92 | H921 | 1.3° | 0.1° |
| C12 | C05 | C04 | H041 | 143.5° | 20.1° |
| C12 | C05 | C06 | H061 | 177.1° | 180.0° |
| C17 | C86 | C87 | C93 | 74.6° | 90.0° |
| C86 | C17 | C18 | H181 | 177.6° | 179.8° |
| N83 | C55 | C54 | H541 | 0.6° | 180.0° |
| C55 | N83 | C82 | H821 | 179.0° | 179.8° |
| C63 | C57 | C58 | H581 | 179.8° | 179.7° |
| C57 | C63 | C62 | H621 | 178.5° | 179.7° |
| C76 | C69 | C68 | H681 | 144.0° | 19.9° |
| C76 | C69 | C70 | H701 | 177.6° | 179.8° |
| C93 | C87 | C88 | H881 | 179.1° | 179.8° |
| C87 | C93 | C92 | H921 | 179.2° | 179.7° |
| H131 | C13 | C04 | H041 | 178.2° | 65.7° |
| H132 | C13 | C04 | H041 | 60.0° | 174.3° |
| H181 | C18 | N19 | H191 | 1.9° | 0.1° |
| H211 | C21 | C22 | H221 | 177.8° | 179.9° |
| H041 | C04 | N03 | H031 | 147.6° | 148.9° |
| H061 | C06 | C07 | H071 | 1.2° | 0.1° |
| H252 | C25 | C26 | H261 | 155.2° | 55.0° |
| H252 | C25 | C26 | H262 | 85.0° | 65.0° |
| H252 | C25 | N24 | H241 | 0.5° | 120.0° |
| H251 | C25 | C26 | H261 | 36.6° | 64.9° |
| H251 | C25 | C26 | H262 | 156.4° | 175.0° |
| H251 | C25 | N24 | H241 | 118.2° | 120.1° |
| H282 | C28 | C29 | H291 | 167.3° | 54.9° |
| H282 | C28 | C29 | H292 | 73.2° | 65.0° |
| H281 | C28 | C29 | H291 | 47.4° | 65.0° |
| H281 | C28 | C29 | H292 | 166.9° | 175.0° |
| H312 | C31 | C32 | H321 | 154.9° | 55.0° |
| H312 | C31 | C32 | H322 | 85.9° | 65.0° |
| H311 | C31 | C32 | H321 | 35.2° | 65.0° |
| H311 | C31 | C32 | H322 | 154.4° | 175.0° |
| H342 | C34 | C35 | H351 | 164.6° | 55.0° |
| H342 | C34 | C35 | H352 | 44.6° | 65.0° |
| H341 | C34 | C35 | H351 | 75.1° | 65.0° |
| H341 | C34 | C35 | H352 | 164.9° | 175.0° |
| H372 | C37 | C38 | H381 | 92.8° | 55.0° |
| H372 | C37 | C38 | H382 | 26.9° | 65.0° |
| H371 | C37 | C38 | H381 | 148.1° | 64.9° |
| H371 | C37 | C38 | H382 | 92.2° | 175.1° |
| H402 | C40 | C41 | H411 | 87.0° | 55.0° |
| H402 | C40 | C41 | H412 | 154.5° | 65.0° |
| H401 | C40 | C41 | H411 | 32.6° | 65.0° |
| H401 | C40 | C41 | H412 | 85.9° | 175.0° |
| H432 | C43 | C44 | H441 | 155.4° | 55.0° |
| H432 | C43 | C44 | H442 | 84.6° | 65.0° |
| H431 | C43 | C44 | H441 | 35.4° | 65.0° |
| H431 | C43 | C44 | H442 | 155.4° | 175.0° |
| H461 | C46 | C47 | H472 | 173.3° | 55.0° |
| H461 | C46 | C47 | H471 | 53.7° | 65.0° |
| H462 | C46 | C47 | H472 | 68.2° | 65.0° |
| H462 | C46 | C47 | H471 | 172.2° | 175.0° |
| H492 | C49 | C50 | H501 | 177.2° | 55.1° |
| H492 | C49 | C50 | H502 | 63.9° | 64.9° |
| H491 | C49 | C50 | H501 | 57.2° | 65.0° |
| H491 | C49 | C50 | H502 | 176.2° | 175.0° |
| H501 | C50 | N51 | H511 | 177.8° | 120.0° |
| H502 | C50 | N51 | H511 | 63.4° | 119.9° |
| H531 | C53 | C54 | H541 | 174.1° | 180.0° |
| H581 | C58 | C59 | H591 | 0.2° | 0.1° |
| H681 | C68 | C77 | H771 | 173.3° | 66.2° |
| H681 | C68 | C77 | H772 | 55.0° | 173.8° |
| H681 | C68 | N67 | H671 | 151.2° | 149.1° |
| H701 | C70 | C71 | H711 | 0.8° | 0.0° |
| H821 | C82 | N83 | H831 | 1.0° | 0.0° |
| H881 | C88 | C89 | H891 | 0.8° | 0.1° |
