ZHD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O51 | C50 | sing | 1.43Å | 1.44Å | |
| O49 | C48 | sing | 1.43Å | 1.47Å | |
| C50 | C48 | sing | 1.53Å | 1.47Å | |
| C50 | C52 | sing | 1.53Å | 1.52Å | |
| C48 | C46 | sing | 1.53Å | 1.48Å | |
| C53 | C52 | sing | 1.53Å | 1.50Å | |
| C52 | O54 | sing | 1.43Å | 1.48Å | |
| C46 | O47 | sing | 1.43Å | 1.42Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| O54 | C45 | sing | 1.43Å | 1.48Å | |
| C45 | O44 | sing | 1.43Å | 1.37Å | |
| O44 | C43 | sing | 1.43Å | 1.42Å | |
| C56 | C55 | sing | 1.53Å | 1.53Å | |
| C55 | C43 | sing | 1.55Å | 1.50Å | |
| C55 | C57 | sing | 1.45Å | 1.55Å | |
| C43 | C41 | sing | 1.58Å | 1.54Å | |
| C59 | C58 | sing | 1.50Å | 1.55Å | |
| C57 | C58 | doub | 1.44Å | 1.35Å | |
| C41 | C42 | sing | 1.49Å | 1.53Å | |
| C41 | C40 | doub | 1.30Å | 1.38Å | |
| C58 | C60 | sing | 1.38Å | 1.58Å | |
| C63 | O62 | sing | 1.43Å | 1.41Å | |
| C40 | C38 | sing | 1.42Å | 1.57Å | |
| O62 | C61 | sing | 1.32Å | 1.42Å | |
| C60 | C61 | doub | 1.38Å | 1.34Å | |
| C61 | C64 | sing | 1.41Å | 1.58Å | |
| C38 | C37 | doub | 1.38Å | 1.34Å | |
| C38 | C39 | sing | 1.55Å | 1.56Å | |
| C22 | O21 | sing | 1.43Å | 1.44Å | |
| O21 | C20 | sing | 1.43Å | 1.41Å | |
| C37 | C35 | sing | 1.41Å | 1.56Å | |
| C64 | C65 | doub | 1.35Å | 1.39Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| C66 | C65 | sing | 1.57Å | 1.56Å | |
| C35 | C36 | sing | 1.46Å | 1.54Å | |
| C35 | C34 | doub | 1.39Å | 1.34Å | |
| C65 | C67 | sing | 1.40Å | 1.58Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C34 | C32 | sing | 1.48Å | 1.54Å | |
| O01 | C02 | sing | 1.43Å | 1.44Å | |
| C67 | O68 | sing | 1.31Å | 1.45Å | |
| C67 | O69 | doub | 1.22Å | 1.19Å | |
| C05 | C03 | sing | 1.53Å | 1.61Å | |
| C18 | C17 | sing | 1.53Å | 1.49Å | |
| O68 | C27 | sing | 1.44Å | 1.41Å | |
| C32 | C29 | sing | 1.49Å | 1.52Å | |
| C32 | O33 | sing | 1.43Å | 1.39Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C02 | C80 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.54Å | 1.55Å | |
| C28 | C27 | sing | 1.58Å | 1.52Å | |
| O23 | C17 | sing | 1.43Å | 1.49Å | |
| O23 | C24 | sing | 1.43Å | 1.46Å | |
| C03 | C06 | sing | 1.53Å | 1.46Å | |
| C03 | O04 | sing | 1.43Å | 1.40Å | |
| C29 | O30 | sing | 1.43Å | 1.39Å | |
| C27 | C25 | sing | 1.53Å | 1.55Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.50Å | |
| O12 | C10 | sing | 1.43Å | 1.49Å | |
| O12 | C13 | sing | 1.43Å | 1.47Å | |
| C16 | C15 | sing | 1.53Å | 1.58Å | |
| C80 | C81 | sing | 1.53Å | 1.53Å | |
| C80 | O79 | sing | 1.43Å | 1.45Å | |
| C10 | C09 | sing | 1.53Å | 1.49Å | |
| C07 | O79 | sing | 1.43Å | 1.49Å | |
| C07 | O08 | sing | 1.43Å | 1.40Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C15 | O14 | sing | 1.43Å | 1.51Å | |
| C15 | C74 | sing | 1.53Å | 1.47Å | |
| C24 | O70 | sing | 1.43Å | 1.36Å | |
| C24 | C71 | sing | 1.53Å | 1.53Å | |
| O30 | C31 | sing | 1.43Å | 1.40Å | |
| O14 | C13 | sing | 1.43Å | 1.39Å | |
| C09 | O08 | sing | 1.43Å | 1.47Å | |
| C09 | C77 | sing | 1.53Å | 1.47Å | |
| C13 | C76 | sing | 1.53Å | 1.51Å | |
| C71 | C74 | sing | 1.53Å | 1.48Å | |
| C71 | O72 | sing | 1.43Å | 1.42Å | |
| C74 | O75 | sing | 1.43Å | 1.48Å | |
| C76 | C77 | sing | 1.53Å | 1.49Å | |
| C77 | O78 | sing | 1.43Å | 1.45Å | |
| O72 | C73 | sing | 1.43Å | 1.40Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H053 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.14Å | 1.08Å | |
| C42 | H423 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H533 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.10Å | 1.10Å | |
| C56 | H563 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.05Å | 1.08Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H593 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.04Å | 1.08Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| C63 | H633 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C64 | H641 | sing | 1.10Å | 1.08Å | |
| C66 | H662 | sing | 1.09Å | 1.10Å | |
| C66 | H663 | sing | 1.09Å | 1.10Å | |
| C66 | H661 | sing | 1.09Å | 1.10Å | |
| C71 | H711 | sing | 1.09Å | 1.10Å | |
| C73 | H732 | sing | 1.09Å | 1.10Å | |
| C73 | H731 | sing | 1.09Å | 1.10Å | |
| C73 | H733 | sing | 1.09Å | 1.10Å | |
| C74 | H741 | sing | 1.09Å | 1.10Å | |
| C76 | H762 | sing | 1.09Å | 1.10Å | |
| C76 | H761 | sing | 1.09Å | 1.10Å | |
| C77 | H771 | sing | 1.09Å | 1.10Å | |
| C80 | H801 | sing | 1.09Å | 1.10Å | |
| C81 | H812 | sing | 1.09Å | 1.10Å | |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C81 | H813 | sing | 1.09Å | 1.10Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| O33 | H331 | sing | 0.97Å | 0.95Å | |
| O47 | H471 | sing | 0.97Å | 0.95Å | |
| O49 | H491 | sing | 0.97Å | 0.95Å | |
| O51 | H511 | sing | 0.97Å | 0.95Å | |
| O70 | H701 | sing | 0.97Å | 0.95Å | |
| O75 | H751 | sing | 0.97Å | 0.95Å | |
| O78 | H781 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O51 | C50 | C48 | 109.3° | 109.5° |
| O51 | C50 | C52 | 109.7° | 109.5° |
| O51 | C50 | H501 | 109.8° | 109.6° |
| C50 | O51 | H511 | 109.5° | 114.0° |
| O49 | C48 | C50 | 109.7° | 109.6° |
| O49 | C48 | C46 | 109.8° | 109.5° |
| O49 | C48 | H481 | 109.4° | 109.5° |
| C48 | O49 | H491 | 109.5° | 114.0° |
| C48 | C50 | C52 | 109.8° | 109.1° |
| C50 | C48 | C46 | 109.4° | 109.0° |
| C50 | C48 | H481 | 109.3° | 109.6° |
| C48 | C50 | H501 | 109.4° | 109.5° |
| C50 | C52 | C53 | 109.9° | 109.4° |
| C50 | C52 | O54 | 112.0° | 109.4° |
| C52 | C50 | H501 | 108.8° | 109.5° |
| C50 | C52 | H521 | 108.4° | 109.5° |
| C48 | C46 | O47 | 109.0° | 109.5° |
| C48 | C46 | C45 | 111.5° | 109.2° |
| C48 | C46 | H461 | 109.1° | 109.6° |
| C46 | C48 | H481 | 109.3° | 109.6° |
| C53 | C52 | O54 | 108.8° | 109.5° |
| C53 | C52 | H521 | 108.7° | 109.5° |
| C52 | C53 | H532 | 109.5° | 109.5° |
| C52 | C53 | H531 | 109.5° | 109.4° |
| C52 | C53 | H533 | 109.5° | 109.5° |
| C52 | O54 | C45 | 112.1° | 114.1° |
| O54 | C52 | H521 | 108.9° | 109.5° |
| O47 | C46 | C45 | 108.9° | 109.5° |
| O47 | C46 | H461 | 109.9° | 109.5° |
| C46 | O47 | H471 | 109.5° | 114.0° |
| C46 | C45 | O54 | 111.6° | 109.4° |
| C46 | C45 | O44 | 108.9° | 109.5° |
| C46 | C45 | H451 | 107.7° | 109.5° |
| C45 | C46 | H461 | 108.5° | 109.5° |
| O54 | C45 | O44 | 110.5° | 109.5° |
| O54 | C45 | H451 | 108.3° | 109.4° |
| C45 | O44 | C43 | 114.8° | 114.0° |
| O44 | C45 | H451 | 109.8° | 109.5° |
| O44 | C43 | C55 | 109.3° | 110.3° |
| O44 | C43 | C41 | 110.9° | 110.4° |
| O44 | C43 | H431 | 110.2° | 109.5° |
| C56 | C55 | C43 | 110.3° | 109.1° |
| C56 | C55 | C57 | 108.5° | 110.1° |
| C56 | C55 | H551 | 110.2° | 108.3° |
| C55 | C56 | H563 | 109.5° | 109.5° |
| C55 | C56 | H562 | 109.4° | 109.5° |
| C55 | C56 | H561 | 109.4° | 109.5° |
| C43 | C55 | C57 | 107.5° | 112.0° |
| C55 | C43 | C41 | 108.6° | 107.5° |
| C55 | C43 | H431 | 109.1° | 109.5° |
| C43 | C55 | H551 | 110.5° | 107.4° |
| C55 | C57 | C58 | 123.8° | 122.4° |
| C57 | C55 | H551 | 109.8° | 109.8° |
| C55 | C57 | H571 | 118.1° | 126.7° |
| C43 | C41 | C42 | 119.1° | 116.3° |
| C43 | C41 | C40 | 119.7° | 117.4° |
| C41 | C43 | H431 | 108.7° | 109.6° |
| C59 | C58 | C57 | 123.0° | 118.2° |
| C59 | C58 | C60 | 122.0° | 126.6° |
| C58 | C59 | H591 | 109.5° | 109.5° |
| C58 | C59 | H593 | 109.4° | 109.5° |
| C58 | C59 | H592 | 109.5° | 109.5° |
| C57 | C58 | C60 | 114.9° | 115.2° |
| C58 | C57 | H571 | 118.1° | 110.9° |
| C42 | C41 | C40 | 121.2° | 126.3° |
| C41 | C42 | H423 | 109.5° | 109.5° |
| C41 | C42 | H421 | 109.5° | 109.4° |
| C41 | C42 | H422 | 109.5° | 109.5° |
| C41 | C40 | C38 | 122.0° | 136.6° |
| C41 | C40 | H401 | 119.0° | 114.4° |
| C58 | C60 | C61 | 125.8° | 127.5° |
| C58 | C60 | H601 | 117.1° | 118.4° |
| C63 | O62 | C61 | 112.2° | 117.0° |
| O62 | C63 | H632 | 109.5° | 109.5° |
| O62 | C63 | H633 | 109.5° | 109.4° |
| O62 | C63 | H631 | 109.5° | 109.5° |
| C40 | C38 | C37 | 117.6° | 117.9° |
| C40 | C38 | C39 | 121.9° | 123.0° |
| C38 | C40 | H401 | 119.0° | 108.9° |
| O62 | C61 | C60 | 123.5° | 124.2° |
| O62 | C61 | C64 | 123.5° | 115.4° |
| C60 | C61 | C64 | 113.0° | 120.5° |
| C61 | C60 | H601 | 117.1° | 114.1° |
| C61 | C64 | C65 | 124.0° | 131.3° |
| C61 | C64 | H641 | 118.0° | 115.9° |
| C37 | C38 | C39 | 120.5° | 119.1° |
| C38 | C37 | C35 | 123.1° | 130.2° |
| C38 | C37 | H371 | 118.4° | 111.9° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | C39 | H392 | 109.5° | 109.4° |
| C38 | C39 | H393 | 109.5° | 109.4° |
| C22 | O21 | C20 | 113.0° | 114.0° |
| O21 | C22 | H221 | 109.5° | 109.5° |
| O21 | C22 | H222 | 109.5° | 109.5° |
| O21 | C22 | H223 | 109.5° | 109.5° |
| O21 | C20 | C19 | 108.5° | 109.4° |
| O21 | C20 | H201 | 109.7° | 109.5° |
| O21 | C20 | H202 | 109.7° | 109.5° |
| C37 | C35 | C36 | 119.5° | 126.9° |
| C37 | C35 | C34 | 117.8° | 115.8° |
| C35 | C37 | H371 | 118.5° | 117.8° |
| C64 | C65 | C66 | 122.0° | 119.6° |
| C64 | C65 | C67 | 115.4° | 123.5° |
| C65 | C64 | H641 | 118.0° | 112.8° |
| C20 | C19 | C18 | 111.9° | 109.4° |
| C19 | C20 | H201 | 109.7° | 109.5° |
| C19 | C20 | H202 | 109.7° | 109.4° |
| C20 | C19 | H192 | 108.9° | 109.4° |
| C20 | C19 | H191 | 108.9° | 109.5° |
| C66 | C65 | C67 | 122.6° | 116.9° |
| C65 | C66 | H662 | 109.5° | 109.4° |
| C65 | C66 | H663 | 109.5° | 109.4° |
| C65 | C66 | H661 | 109.4° | 109.5° |
| C36 | C35 | C34 | 122.7° | 117.3° |
| C35 | C36 | H361 | 109.5° | 109.4° |
| C35 | C36 | H363 | 109.5° | 109.5° |
| C35 | C36 | H362 | 109.5° | 109.4° |
| C35 | C34 | C32 | 124.0° | 121.0° |
| C35 | C34 | H341 | 118.0° | 116.8° |
| C65 | C67 | O68 | 117.1° | 125.1° |
| C65 | C67 | O69 | 121.5° | 117.1° |
| C19 | C18 | C17 | 112.1° | 109.4° |
| C19 | C18 | H181 | 108.8° | 109.5° |
| C19 | C18 | H182 | 108.8° | 109.4° |
| C18 | C19 | H192 | 108.9° | 109.4° |
| C18 | C19 | H191 | 108.9° | 109.5° |
| C34 | C32 | C29 | 108.6° | 110.5° |
| C34 | C32 | O33 | 110.1° | 109.9° |
| C34 | C32 | H321 | 108.7° | 110.3° |
| C32 | C34 | H341 | 118.0° | 122.2° |
| O01 | C02 | C03 | 109.0° | 109.5° |
| O01 | C02 | C80 | 108.8° | 109.5° |
| O01 | C02 | H021 | 109.6° | 109.6° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| O68 | C67 | O69 | 121.4° | 117.7° |
| C67 | O68 | C27 | 115.5° | 116.2° |
| C05 | C03 | C02 | 110.0° | 109.6° |
| C05 | C03 | C06 | 108.4° | 109.6° |
| C05 | C03 | O04 | 109.8° | 109.6° |
| C03 | C05 | H052 | 109.5° | 109.5° |
| C03 | C05 | H051 | 109.5° | 109.5° |
| C03 | C05 | H053 | 109.4° | 109.5° |
| C18 | C17 | O23 | 108.9° | 109.5° |
| C18 | C17 | C15 | 110.0° | 109.5° |
| C18 | C17 | H171 | 109.1° | 109.5° |
| C17 | C18 | H181 | 108.8° | 109.5° |
| C17 | C18 | H182 | 108.8° | 109.5° |
| O68 | C27 | C28 | 110.7° | 106.5° |
| O68 | C27 | C25 | 108.3° | 109.8° |
| O68 | C27 | H271 | 110.7° | 110.1° |
| C29 | C32 | O33 | 109.6° | 108.5° |
| C32 | C29 | C28 | 111.0° | 108.4° |
| C32 | C29 | O30 | 109.5° | 109.2° |
| C32 | C29 | H291 | 108.6° | 109.4° |
| C29 | C32 | H321 | 108.9° | 108.2° |
| O33 | C32 | H321 | 110.9° | 109.5° |
| C32 | O33 | H331 | 109.5° | 114.0° |
| C11 | C10 | O12 | 109.6° | 109.5° |
| C11 | C10 | C09 | 111.3° | 109.4° |
| C11 | C10 | H101 | 108.6° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.4° | 109.4° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C03 | C02 | C80 | 112.1° | 109.2° |
| C02 | C03 | C06 | 111.8° | 109.0° |
| C02 | C03 | O04 | 108.5° | 109.5° |
| C03 | C02 | H021 | 108.7° | 109.5° |
| C02 | C80 | C81 | 109.2° | 109.5° |
| C02 | C80 | O79 | 111.2° | 109.4° |
| C80 | C02 | H021 | 108.6° | 109.5° |
| C02 | C80 | H801 | 108.5° | 109.4° |
| C29 | C28 | C27 | 114.8° | 108.3° |
| C28 | C29 | O30 | 108.8° | 109.8° |
| C29 | C28 | H281 | 108.1° | 110.1° |
| C29 | C28 | H282 | 108.1° | 109.7° |
| C28 | C29 | H291 | 108.4° | 110.2° |
| C28 | C27 | C25 | 109.2° | 110.1° |
| C27 | C28 | H281 | 108.1° | 109.7° |
| C27 | C28 | H282 | 108.1° | 109.6° |
| C28 | C27 | H271 | 109.1° | 110.1° |
| C17 | O23 | C24 | 110.0° | 114.2° |
| O23 | C17 | C15 | 111.0° | 109.4° |
| O23 | C17 | H171 | 109.2° | 109.4° |
| O23 | C24 | C25 | 109.5° | 109.5° |
| O23 | C24 | O70 | 108.6° | 109.4° |
| O23 | C24 | C71 | 111.2° | 109.4° |
| C06 | C03 | O04 | 108.3° | 109.5° |
| C03 | C06 | C07 | 111.8° | 109.2° |
| C03 | C06 | H061 | 108.9° | 109.5° |
| C03 | C06 | H062 | 108.9° | 109.5° |
| C03 | O04 | H041 | 109.5° | 114.0° |
| C29 | O30 | C31 | 113.5° | 114.0° |
| O30 | C29 | H291 | 110.5° | 109.8° |
| C27 | C25 | C26 | 110.6° | 109.5° |
| C27 | C25 | C24 | 109.3° | 109.5° |
| C27 | C25 | H251 | 108.8° | 109.5° |
| C25 | C27 | H271 | 108.8° | 110.2° |
| C17 | C15 | C16 | 108.1° | 109.6° |
| C17 | C15 | O14 | 110.0° | 109.5° |
| C17 | C15 | C74 | 111.4° | 109.2° |
| C15 | C17 | H171 | 108.6° | 109.5° |
| C06 | C07 | O79 | 110.0° | 109.4° |
| C06 | C07 | O08 | 109.2° | 109.5° |
| C07 | C06 | H061 | 108.9° | 109.5° |
| C07 | C06 | H062 | 108.9° | 109.6° |
| C06 | C07 | H071 | 108.3° | 109.5° |
| C26 | C25 | C24 | 109.8° | 109.4° |
| C25 | C26 | H263 | 109.5° | 109.4° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C26 | C25 | H251 | 109.4° | 109.5° |
| C10 | O12 | C13 | 109.8° | 114.1° |
| O12 | C10 | C09 | 109.8° | 109.5° |
| O12 | C10 | H101 | 108.8° | 109.5° |
| O12 | C13 | O14 | 110.3° | 109.5° |
| O12 | C13 | C76 | 111.6° | 109.5° |
| O12 | C13 | H131 | 108.7° | 109.5° |
| C16 | C15 | O14 | 108.5° | 109.5° |
| C16 | C15 | C74 | 107.4° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C81 | C80 | O79 | 110.2° | 109.5° |
| C81 | C80 | H801 | 108.3° | 109.5° |
| C80 | C81 | H812 | 109.5° | 109.5° |
| C80 | C81 | H811 | 109.5° | 109.5° |
| C80 | C81 | H813 | 109.5° | 109.5° |
| C80 | O79 | C07 | 107.9° | 114.1° |
| O79 | C80 | H801 | 109.3° | 109.5° |
| C10 | C09 | O08 | 111.4° | 109.6° |
| C10 | C09 | C77 | 108.2° | 109.1° |
| C09 | C10 | H101 | 108.8° | 109.5° |
| C10 | C09 | H091 | 109.1° | 109.5° |
| O79 | C07 | O08 | 111.1° | 109.5° |
| O79 | C07 | H071 | 108.3° | 109.4° |
| C07 | O08 | C09 | 112.3° | 114.0° |
| O08 | C07 | H071 | 109.7° | 109.5° |
| C25 | C24 | O70 | 108.7° | 109.5° |
| C25 | C24 | C71 | 110.3° | 109.5° |
| C24 | C25 | H251 | 108.9° | 109.4° |
| O14 | C15 | C74 | 111.3° | 109.5° |
| C15 | O14 | C13 | 114.6° | 114.0° |
| C15 | C74 | C71 | 112.3° | 109.0° |
| C15 | C74 | O75 | 109.7° | 109.6° |
| C15 | C74 | H741 | 108.7° | 109.5° |
| O70 | C24 | C71 | 108.5° | 109.5° |
| C24 | O70 | H701 | 109.5° | 114.0° |
| C24 | C71 | C74 | 111.3° | 109.2° |
| C24 | C71 | O72 | 109.8° | 109.5° |
| C24 | C71 | H711 | 108.2° | 109.5° |
| O30 | C31 | H311 | 109.5° | 109.4° |
| O30 | C31 | H313 | 109.5° | 109.5° |
| O30 | C31 | H312 | 109.5° | 109.5° |
| O14 | C13 | C76 | 108.2° | 109.5° |
| O14 | C13 | H131 | 109.8° | 109.4° |
| O08 | C09 | C77 | 109.3° | 109.5° |
| O08 | C09 | H091 | 109.4° | 109.5° |
| C09 | C77 | C76 | 111.5° | 109.0° |
| C09 | C77 | O78 | 108.2° | 109.5° |
| C77 | C09 | H091 | 109.4° | 109.5° |
| C09 | C77 | H771 | 109.3° | 109.5° |
| C13 | C76 | C77 | 114.2° | 109.2° |
| C76 | C13 | H131 | 108.2° | 109.5° |
| C13 | C76 | H762 | 108.3° | 109.6° |
| C13 | C76 | H761 | 108.3° | 109.6° |
| C74 | C71 | O72 | 108.9° | 109.5° |
| C71 | C74 | O75 | 108.8° | 109.6° |
| C74 | C71 | H711 | 108.8° | 109.5° |
| C71 | C74 | H741 | 108.6° | 109.6° |
| C71 | O72 | C73 | 113.4° | 114.0° |
| O72 | C71 | H711 | 109.7° | 109.6° |
| O75 | C74 | H741 | 108.7° | 109.7° |
| C74 | O75 | H751 | 109.5° | 114.0° |
| C76 | C77 | O78 | 109.1° | 109.5° |
| C77 | C76 | H762 | 108.3° | 109.5° |
| C77 | C76 | H761 | 108.3° | 109.5° |
| C76 | C77 | H771 | 109.0° | 109.6° |
| O78 | C77 | H771 | 109.6° | 109.7° |
| C77 | O78 | H781 | 109.5° | 114.0° |
| O72 | C73 | H732 | 109.5° | 109.5° |
| O72 | C73 | H731 | 109.4° | 109.5° |
| O72 | C73 | H733 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.4° |
| H222 | C22 | H223 | 109.5° | 109.4° |
| H263 | C26 | H261 | 109.4° | 109.5° |
| H263 | C26 | H262 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H052 | C05 | H053 | 109.5° | 109.5° |
| H051 | C05 | H053 | 109.5° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.5° | 109.4° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.4° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H313 | C31 | H312 | 109.4° | 109.5° |
| H361 | C36 | H363 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H363 | C36 | H362 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.4° | 109.5° |
| H391 | C39 | H393 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H423 | C42 | H421 | 109.5° | 109.4° |
| H423 | C42 | H422 | 109.4° | 109.5° |
| H421 | C42 | H422 | 109.5° | 109.5° |
| H532 | C53 | H531 | 109.5° | 109.5° |
| H532 | C53 | H533 | 109.5° | 109.5° |
| H531 | C53 | H533 | 109.4° | 109.4° |
| H563 | C56 | H562 | 109.5° | 109.4° |
| H563 | C56 | H561 | 109.5° | 109.5° |
| H562 | C56 | H561 | 109.5° | 109.5° |
| H591 | C59 | H593 | 109.5° | 109.4° |
| H591 | C59 | H592 | 109.5° | 109.5° |
| H593 | C59 | H592 | 109.5° | 109.4° |
| H632 | C63 | H633 | 109.5° | 109.4° |
| H632 | C63 | H631 | 109.5° | 109.5° |
| H633 | C63 | H631 | 109.4° | 109.5° |
| H662 | C66 | H663 | 109.5° | 109.5° |
| H662 | C66 | H661 | 109.5° | 109.5° |
| H663 | C66 | H661 | 109.5° | 109.5° |
| H732 | C73 | H731 | 109.5° | 109.5° |
| H732 | C73 | H733 | 109.4° | 109.5° |
| H731 | C73 | H733 | 109.5° | 109.5° |
| H762 | C76 | H761 | 109.5° | 109.5° |
| H812 | C81 | H811 | 109.5° | 109.5° |
| H812 | C81 | H813 | 109.5° | 109.5° |
| H811 | C81 | H813 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O51 | C50 | C48 | O49 | 59.0° | 63.2° |
| O51 | C50 | C48 | C52 | 120.4° | 119.9° |
| O51 | C50 | C48 | H501 | 120.3° | 120.2° |
| O51 | C50 | C52 | H501 | 120.2° | 120.2° |
| O51 | C50 | C48 | C46 | 179.4° | 176.9° |
| O51 | C50 | C52 | C53 | 61.3° | 62.5° |
| O51 | C50 | C52 | O54 | 177.6° | 177.5° |
| O51 | C50 | C48 | H481 | 60.9° | 57.0° |
| O51 | C50 | C52 | H521 | 57.4° | 57.5° |
| O49 | C48 | C50 | C46 | 120.4° | 119.9° |
| O49 | C48 | C50 | H481 | 119.9° | 120.2° |
| O49 | C48 | C50 | C52 | 179.4° | 176.9° |
| O49 | C48 | C46 | H481 | 119.9° | 120.1° |
| O49 | C48 | C46 | O47 | 60.3° | 63.2° |
| O49 | C48 | C46 | C45 | 179.5° | 177.0° |
| O49 | C48 | C46 | H461 | 59.7° | 57.0° |
| O49 | C48 | C50 | H501 | 61.3° | 57.0° |
| C48 | C50 | C52 | H501 | 119.7° | 119.9° |
| C50 | C48 | C46 | H481 | 119.7° | 119.9° |
| C48 | C50 | C52 | C53 | 178.6° | 177.6° |
| C48 | C50 | C52 | O54 | 57.5° | 57.6° |
| C50 | C48 | C46 | O47 | 179.4° | 176.9° |
| C50 | C48 | C46 | C45 | 59.1° | 57.0° |
| C50 | C48 | C46 | H461 | 60.6° | 62.9° |
| C48 | C50 | C52 | H521 | 62.7° | 62.4° |
| C50 | C48 | O49 | H491 | 180.0° | 179.6° |
| C48 | C50 | O51 | H511 | 180.0° | 179.9° |
| C52 | C50 | C48 | C46 | 60.2° | 57.0° |
| C50 | C52 | C53 | O54 | 123.0° | 119.9° |
| C50 | C52 | C53 | H521 | 118.5° | 120.0° |
| C50 | C52 | O54 | H521 | 119.9° | 120.0° |
| C50 | C52 | O54 | C45 | 52.6° | 61.2° |
| C52 | C50 | C48 | H481 | 59.5° | 62.9° |
| C50 | C52 | C53 | H532 | 180.0° | 60.0° |
| C50 | C52 | C53 | H531 | 60.0° | 180.0° |
| C50 | C52 | C53 | H533 | 60.0° | 60.0° |
| C52 | C50 | O51 | H511 | 59.6° | 60.3° |
| C48 | C46 | O47 | C45 | 121.8° | 119.6° |
| C48 | C46 | O47 | H461 | 119.5° | 120.2° |
| C48 | C46 | C45 | H461 | 120.1° | 120.0° |
| C48 | C46 | C45 | O54 | 54.1° | 57.7° |
| C48 | C46 | C45 | O44 | 68.1° | 62.3° |
| C48 | C46 | C45 | H451 | 172.9° | 177.6° |
| C46 | C48 | C50 | H501 | 59.1° | 62.9° |
| C48 | C46 | O47 | H471 | 180.0° | 179.7° |
| C46 | C48 | O49 | H491 | 59.8° | 60.0° |
| C53 | C52 | O54 | H521 | 118.4° | 120.1° |
| C53 | C52 | O54 | C45 | 174.3° | 178.9° |
| C53 | C52 | C50 | H501 | 58.9° | 57.7° |
| C52 | C53 | H532 | H531 | 120.0° | 120.0° |
| C52 | C53 | H532 | H533 | 120.0° | 120.1° |
| C52 | C53 | H531 | H533 | 120.0° | 120.0° |
| C52 | O54 | C45 | C46 | 50.4° | 61.2° |
| C52 | O54 | C45 | O44 | 71.0° | 58.8° |
| C52 | O54 | C45 | H451 | 168.7° | 178.8° |
| O54 | C52 | C50 | H501 | 62.2° | 62.3° |
| O54 | C52 | C53 | H532 | 57.0° | 179.9° |
| O54 | C52 | C53 | H531 | 63.0° | 60.1° |
| O54 | C52 | C53 | H533 | 177.0° | 59.8° |
| O47 | C46 | C45 | H461 | 119.6° | 120.1° |
| O47 | C46 | C45 | O54 | 174.4° | 177.5° |
| O47 | C46 | C45 | O44 | 52.2° | 57.5° |
| O47 | C46 | C45 | H451 | 66.8° | 62.5° |
| O47 | C46 | C48 | H481 | 59.7° | 57.0° |
| C46 | C45 | O54 | O44 | 121.3° | 120.0° |
| C46 | C45 | O54 | H451 | 118.4° | 120.0° |
| C46 | C45 | O44 | H451 | 117.7° | 120.1° |
| C46 | C45 | O44 | C43 | 175.2° | 175.0° |
| C45 | C46 | C48 | H481 | 60.6° | 62.9° |
| C45 | C46 | O47 | H471 | 58.2° | 60.0° |
| O54 | C45 | O44 | H451 | 119.4° | 120.0° |
| O54 | C45 | O44 | C43 | 52.4° | 65.0° |
| O54 | C45 | C46 | H461 | 66.0° | 62.4° |
| C45 | O54 | C52 | H521 | 67.3° | 58.8° |
| C45 | O44 | C43 | C55 | 173.2° | 151.3° |
| C45 | O44 | C43 | C41 | 67.0° | 90.0° |
| C45 | O44 | C43 | H431 | 53.3° | 30.8° |
| O44 | C45 | C46 | H461 | 171.8° | 177.6° |
| O44 | C43 | C55 | C56 | 99.2° | 162.8° |
| O44 | C43 | C55 | C41 | 121.1° | 120.4° |
| O44 | C43 | C55 | H431 | 120.6° | 120.6° |
| O44 | C43 | C55 | C57 | 142.7° | 75.0° |
| O44 | C43 | C41 | H431 | 121.3° | 120.7° |
| O44 | C43 | C41 | C42 | 41.6° | 142.2° |
| O44 | C43 | C41 | C40 | 138.3° | 37.1° |
| C43 | O44 | C45 | H451 | 67.0° | 55.0° |
| O44 | C43 | C55 | H551 | 22.8° | 45.6° |
| C56 | C55 | C43 | C57 | 118.1° | 122.1° |
| C56 | C55 | C43 | H551 | 122.1° | 117.2° |
| C56 | C55 | C57 | H551 | 120.5° | 119.2° |
| C56 | C55 | C43 | C41 | 139.6° | 76.7° |
| C56 | C55 | C57 | C58 | 124.5° | 79.9° |
| C56 | C55 | C43 | H431 | 21.4° | 42.3° |
| C55 | C56 | H563 | H562 | 120.0° | 120.0° |
| C55 | C56 | H563 | H561 | 120.0° | 120.0° |
| C55 | C56 | H562 | H561 | 120.0° | 120.1° |
| C56 | C55 | C57 | H571 | 55.5° | 99.8° |
| C43 | C55 | C57 | H551 | 120.3° | 119.2° |
| C55 | C43 | C41 | H431 | 118.5° | 119.0° |
| C43 | C55 | C57 | C58 | 116.2° | 158.6° |
| C55 | C43 | C41 | C42 | 78.5° | 97.5° |
| C55 | C43 | C41 | C40 | 101.6° | 83.3° |
| C43 | C55 | C56 | H563 | 180.0° | 60.0° |
| C43 | C55 | C56 | H562 | 60.0° | 180.0° |
| C43 | C55 | C56 | H561 | 60.0° | 60.0° |
| C43 | C55 | C57 | H571 | 63.8° | 21.7° |
| C57 | C55 | C43 | C41 | 21.6° | 45.4° |
| C55 | C57 | C58 | C59 | 0.1° | 0.7° |
| C55 | C57 | C58 | H571 | 180.0° | 179.7° |
| C55 | C57 | C58 | C60 | 178.9° | 179.8° |
| C57 | C55 | C43 | H431 | 96.7° | 164.4° |
| C57 | C55 | C56 | H563 | 62.5° | 176.7° |
| C57 | C55 | C56 | H562 | 57.5° | 56.7° |
| C57 | C55 | C56 | H561 | 177.5° | 63.3° |
| C43 | C41 | C42 | C40 | 179.9° | 179.2° |
| C43 | C41 | C40 | C38 | 178.9° | 179.0° |
| C43 | C41 | C40 | H401 | 1.1° | 2.3° |
| C43 | C41 | C42 | H423 | 180.0° | 179.2° |
| C43 | C41 | C42 | H421 | 60.0° | 59.2° |
| C43 | C41 | C42 | H422 | 60.0° | 60.8° |
| C41 | C43 | C55 | H551 | 98.3° | 166.0° |
| C59 | C58 | C57 | C60 | 178.8° | 179.1° |
| C59 | C58 | C60 | C61 | 35.6° | 17.0° |
| C59 | C58 | C57 | H571 | 179.9° | 179.5° |
| C58 | C59 | H591 | H593 | 120.0° | 120.0° |
| C58 | C59 | H591 | H592 | 120.0° | 120.1° |
| C58 | C59 | H593 | H592 | 120.0° | 120.0° |
| C59 | C58 | C60 | H601 | 144.4° | 160.6° |
| C57 | C58 | C60 | C61 | 145.6° | 164.0° |
| C58 | C57 | C55 | H551 | 4.0° | 39.4° |
| C57 | C58 | C59 | H591 | 180.0° | 95.2° |
| C57 | C58 | C59 | H593 | 60.0° | 144.9° |
| C57 | C58 | C59 | H592 | 60.0° | 24.9° |
| C57 | C58 | C60 | H601 | 34.4° | 18.4° |
| C42 | C41 | C40 | C38 | 1.2° | 1.8° |
| C42 | C41 | C40 | H401 | 178.8° | 176.9° |
| C41 | C42 | H423 | H421 | 120.0° | 120.0° |
| C41 | C42 | H423 | H422 | 120.0° | 120.1° |
| C41 | C42 | H421 | H422 | 120.0° | 120.0° |
| C42 | C41 | C43 | H431 | 162.9° | 21.5° |
| C41 | C40 | C38 | H401 | 180.0° | 178.8° |
| C41 | C40 | C38 | C37 | 57.4° | 173.8° |
| C41 | C40 | C38 | C39 | 124.2° | 6.7° |
| C40 | C41 | C42 | H423 | 0.1° | 0.0° |
| C40 | C41 | C42 | H421 | 120.1° | 120.0° |
| C40 | C41 | C42 | H422 | 119.8° | 120.0° |
| C40 | C41 | C43 | H431 | 16.9° | 157.8° |
| C58 | C60 | C61 | O62 | 0.2° | 1.3° |
| C58 | C60 | C61 | H601 | 180.0° | 177.7° |
| C58 | C60 | C61 | C64 | 180.0° | 179.3° |
| C60 | C58 | C57 | H571 | 1.1° | 0.4° |
| C60 | C58 | C59 | H591 | 1.3° | 83.8° |
| C60 | C58 | C59 | H593 | 121.2° | 36.1° |
| C60 | C58 | C59 | H592 | 118.8° | 156.1° |
| C63 | O62 | C61 | C60 | 93.4° | 111.6° |
| C63 | O62 | C61 | C64 | 86.8° | 67.8° |
| O62 | C63 | H632 | H633 | 120.0° | 119.9° |
| O62 | C63 | H632 | H631 | 120.0° | 120.1° |
| O62 | C63 | H633 | H631 | 120.0° | 120.0° |
| C40 | C38 | C37 | C39 | 178.3° | 179.5° |
| C40 | C38 | C37 | C35 | 179.6° | 178.5° |
| C40 | C38 | C37 | H371 | 0.4° | 5.2° |
| C40 | C38 | C39 | H391 | 180.0° | 179.5° |
| C40 | C38 | C39 | H392 | 60.0° | 60.5° |
| C40 | C38 | C39 | H393 | 60.0° | 59.5° |
| O62 | C61 | C60 | C64 | 179.8° | 179.4° |
| O62 | C61 | C64 | C65 | 46.9° | 140.7° |
| O62 | C61 | C60 | H601 | 179.8° | 179.0° |
| C61 | O62 | C63 | H632 | 180.0° | 174.9° |
| C61 | O62 | C63 | H633 | 60.0° | 65.2° |
| C61 | O62 | C63 | H631 | 60.0° | 54.8° |
| O62 | C61 | C64 | H641 | 133.1° | 39.5° |
| C60 | C61 | C64 | C65 | 132.9° | 38.7° |
| C60 | C61 | C64 | H641 | 47.1° | 141.1° |
| C61 | C64 | C65 | H641 | 180.0° | 179.8° |
| C61 | C64 | C65 | C66 | 2.7° | 11.6° |
| C61 | C64 | C65 | C67 | 178.7° | 170.7° |
| C64 | C61 | C60 | H601 | 0.0° | 1.7° |
| C38 | C37 | C35 | H371 | 180.0° | 176.1° |
| C38 | C37 | C35 | C36 | 89.1° | 56.4° |
| C38 | C37 | C35 | C34 | 92.4° | 122.7° |
| C37 | C38 | C39 | H391 | 1.8° | 0.0° |
| C37 | C38 | C39 | H392 | 121.7° | 120.0° |
| C37 | C38 | C39 | H393 | 118.3° | 120.0° |
| C37 | C38 | C40 | H401 | 122.6° | 4.9° |
| C39 | C38 | C37 | C35 | 1.2° | 1.9° |
| C39 | C38 | C37 | H371 | 178.7° | 174.4° |
| C38 | C39 | H391 | H392 | 120.0° | 120.0° |
| C38 | C39 | H391 | H393 | 120.0° | 120.0° |
| C38 | C39 | H392 | H393 | 120.0° | 119.9° |
| C39 | C38 | C40 | H401 | 55.8° | 174.6° |
| C22 | O21 | C20 | C19 | 93.8° | 180.0° |
| C22 | O21 | C20 | H201 | 26.1° | 60.1° |
| C22 | O21 | C20 | H202 | 146.4° | 60.1° |
| O21 | C22 | H221 | H222 | 120.0° | 120.1° |
| O21 | C22 | H221 | H223 | 120.0° | 120.0° |
| O21 | C22 | H222 | H223 | 120.0° | 120.0° |
| O21 | C20 | C19 | H201 | 119.9° | 120.0° |
| O21 | C20 | C19 | H202 | 119.8° | 120.0° |
| O21 | C20 | C19 | C18 | 115.0° | 180.0° |
| O21 | C20 | H201 | H202 | 120.5° | 120.1° |
| C20 | O21 | C22 | H221 | 180.0° | 180.0° |
| C20 | O21 | C22 | H222 | 60.0° | 60.0° |
| C20 | O21 | C22 | H223 | 60.0° | 60.0° |
| O21 | C20 | C19 | H192 | 124.7° | 60.0° |
| O21 | C20 | C19 | H191 | 5.4° | 60.0° |
| C37 | C35 | C36 | C34 | 178.5° | 179.1° |
| C37 | C35 | C34 | C32 | 178.7° | 178.9° |
| C37 | C35 | C34 | H341 | 1.3° | 1.3° |
| C37 | C35 | C36 | H361 | 180.0° | 154.9° |
| C37 | C35 | C36 | H363 | 60.0° | 34.8° |
| C37 | C35 | C36 | H362 | 60.0° | 85.2° |
| C64 | C65 | C66 | C67 | 178.5° | 177.8° |
| C64 | C65 | C67 | O68 | 21.3° | 172.5° |
| C64 | C65 | C67 | O69 | 158.2° | 7.6° |
| C64 | C65 | C66 | H662 | 180.0° | 90.0° |
| C64 | C65 | C66 | H663 | 60.0° | 150.1° |
| C64 | C65 | C66 | H661 | 60.0° | 30.0° |
| C20 | C19 | C18 | H192 | 120.4° | 119.9° |
| C20 | C19 | C18 | H191 | 120.3° | 120.0° |
| C20 | C19 | C18 | C17 | 158.5° | 175.2° |
| C19 | C20 | H201 | H202 | 120.4° | 120.0° |
| C20 | C19 | C18 | H181 | 81.1° | 64.8° |
| C20 | C19 | C18 | H182 | 38.1° | 55.2° |
| C20 | C19 | H192 | H191 | 118.9° | 120.0° |
| C66 | C65 | C67 | O68 | 160.1° | 9.8° |
| C66 | C65 | C67 | O69 | 20.4° | 170.1° |
| C66 | C65 | C64 | H641 | 177.3° | 168.6° |
| C65 | C66 | H662 | H663 | 120.0° | 119.9° |
| C65 | C66 | H662 | H661 | 120.0° | 120.0° |
| C65 | C66 | H663 | H661 | 120.0° | 120.1° |
| C36 | C35 | C34 | C32 | 0.1° | 0.3° |
| C36 | C35 | C34 | H341 | 179.9° | 179.5° |
| C35 | C36 | H361 | H363 | 120.0° | 120.0° |
| C35 | C36 | H361 | H362 | 120.0° | 119.9° |
| C35 | C36 | H363 | H362 | 120.0° | 120.0° |
| C36 | C35 | C37 | H371 | 91.0° | 127.5° |
| C35 | C34 | C32 | H341 | 180.0° | 179.8° |
| C35 | C34 | C32 | C29 | 113.4° | 171.1° |
| C35 | C34 | C32 | O33 | 126.6° | 69.2° |
| C35 | C34 | C32 | H321 | 5.0° | 51.6° |
| C34 | C35 | C36 | H361 | 1.5° | 26.1° |
| C34 | C35 | C36 | H363 | 118.5° | 146.1° |
| C34 | C35 | C36 | H362 | 121.5° | 93.9° |
| C34 | C35 | C37 | H371 | 87.6° | 53.4° |
| C65 | C67 | O68 | O69 | 179.5° | 179.9° |
| C65 | C67 | O68 | C27 | 133.6° | 97.9° |
| C67 | C65 | C64 | H641 | 1.2° | 9.1° |
| C67 | C65 | C66 | H662 | 1.5° | 87.8° |
| C67 | C65 | C66 | H663 | 118.5° | 32.1° |
| C67 | C65 | C66 | H661 | 121.5° | 152.2° |
| C19 | C18 | C17 | H181 | 120.4° | 120.0° |
| C19 | C18 | C17 | H182 | 120.4° | 120.0° |
| C19 | C18 | C17 | O23 | 71.6° | 65.9° |
| C19 | C18 | C17 | C15 | 166.5° | 174.1° |
| C19 | C18 | C17 | H171 | 47.5° | 54.1° |
| C18 | C19 | C20 | H201 | 4.9° | 60.0° |
| C18 | C19 | C20 | H202 | 125.2° | 60.1° |
| C19 | C18 | H181 | H182 | 118.8° | 120.0° |
| C18 | C19 | H192 | H191 | 118.9° | 120.0° |
| C34 | C32 | C29 | O33 | 120.3° | 120.5° |
| C34 | C32 | C29 | H321 | 118.3° | 120.8° |
| C34 | C32 | O33 | H321 | 120.4° | 121.3° |
| C34 | C32 | C29 | C28 | 62.8° | 71.8° |
| C34 | C32 | C29 | O30 | 177.0° | 168.7° |
| C34 | C32 | C29 | H291 | 56.3° | 48.4° |
| C34 | C32 | O33 | H331 | 180.0° | 54.3° |
| O01 | C02 | C03 | C05 | 58.2° | 57.0° |
| O01 | C02 | C03 | C80 | 120.5° | 119.9° |
| O01 | C02 | C03 | H021 | 119.4° | 120.2° |
| O01 | C02 | C80 | H021 | 119.2° | 120.2° |
| O01 | C02 | C03 | C06 | 62.3° | 176.9° |
| O01 | C02 | C03 | O04 | 178.3° | 63.3° |
| O01 | C02 | C80 | C81 | 130.8° | 62.5° |
| O01 | C02 | C80 | O79 | 107.3° | 177.5° |
| O01 | C02 | C80 | H801 | 12.9° | 57.6° |
| C67 | O68 | C27 | C28 | 121.0° | 139.6° |
| C67 | O68 | C27 | C25 | 119.3° | 101.3° |
| C67 | O68 | C27 | H271 | 0.1° | 20.2° |
| O69 | C67 | O68 | C27 | 46.9° | 82.2° |
| C05 | C03 | C02 | C06 | 120.5° | 119.9° |
| C05 | C03 | C02 | O04 | 120.1° | 120.3° |
| C05 | C03 | C02 | C80 | 178.8° | 62.9° |
| C05 | C03 | C06 | O04 | 119.0° | 120.3° |
| C05 | C03 | C06 | C07 | 157.7° | 62.9° |
| C05 | C03 | C02 | H021 | 61.2° | 177.2° |
| C03 | C05 | H052 | H051 | 120.0° | 120.0° |
| C03 | C05 | H052 | H053 | 120.0° | 120.0° |
| C03 | C05 | H051 | H053 | 120.0° | 120.0° |
| C05 | C03 | C06 | H061 | 82.0° | 177.2° |
| C05 | C03 | C06 | H062 | 37.3° | 57.1° |
| C05 | C03 | O04 | H041 | 180.0° | 59.8° |
| C18 | C17 | O23 | C15 | 121.2° | 120.0° |
| C18 | C17 | O23 | H171 | 119.0° | 120.0° |
| C18 | C17 | O23 | C24 | 179.5° | 178.9° |
| C18 | C17 | C15 | H171 | 119.4° | 120.1° |
| C18 | C17 | C15 | C16 | 58.2° | 57.6° |
| C18 | C17 | C15 | O14 | 60.1° | 62.5° |
| C18 | C17 | C15 | C74 | 176.0° | 177.6° |
| C17 | C18 | H181 | H182 | 118.8° | 120.0° |
| C17 | C18 | C19 | H192 | 38.1° | 64.9° |
| C17 | C18 | C19 | H191 | 81.2° | 55.1° |
| O68 | C27 | C28 | C29 | 102.8° | 164.9° |
| O68 | C27 | C28 | C25 | 119.2° | 119.0° |
| O68 | C27 | C28 | H271 | 122.0° | 119.3° |
| O68 | C27 | C25 | H271 | 120.4° | 121.4° |
| O68 | C27 | C25 | C26 | 63.0° | 21.1° |
| O68 | C27 | C25 | C24 | 57.9° | 98.9° |
| O68 | C27 | C28 | H281 | 136.4° | 44.7° |
| O68 | C27 | C28 | H282 | 18.0° | 75.5° |
| O68 | C27 | C25 | H251 | 176.7° | 141.2° |
| C29 | C32 | O33 | H321 | 120.3° | 117.8° |
| C32 | C29 | C28 | O30 | 120.6° | 119.1° |
| C32 | C29 | C28 | H291 | 119.2° | 119.8° |
| C32 | C29 | C28 | C27 | 168.8° | 134.4° |
| C32 | C29 | O30 | H291 | 119.6° | 120.0° |
| C32 | C29 | O30 | C31 | 101.8° | 91.3° |
| C32 | C29 | C28 | H281 | 70.4° | 14.5° |
| C32 | C29 | C28 | H282 | 48.0° | 106.1° |
| C29 | C32 | C34 | H341 | 66.6° | 8.7° |
| C29 | C32 | O33 | H331 | 60.6° | 175.2° |
| O33 | C32 | C29 | C28 | 57.5° | 48.7° |
| O33 | C32 | C29 | O30 | 62.7° | 70.8° |
| O33 | C32 | C29 | H291 | 176.6° | 169.0° |
| O33 | C32 | C34 | H341 | 53.4° | 111.0° |
| C11 | C10 | O12 | C09 | 122.5° | 120.0° |
| C11 | C10 | O12 | H101 | 118.6° | 120.0° |
| C11 | C10 | O12 | C13 | 174.6° | 178.9° |
| C11 | C10 | C09 | H101 | 119.6° | 120.0° |
| C11 | C10 | C09 | O08 | 53.9° | 62.5° |
| C11 | C10 | C09 | C77 | 174.0° | 177.6° |
| C11 | C10 | C09 | H091 | 67.0° | 57.7° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H113 | H112 | 120.0° | 120.0° |
| C03 | C02 | C80 | H021 | 120.2° | 119.9° |
| C02 | C03 | C06 | O04 | 119.5° | 119.8° |
| C02 | C03 | C06 | C07 | 36.2° | 57.0° |
| C03 | C02 | C80 | C81 | 108.6° | 177.6° |
| C03 | C02 | C80 | O79 | 13.3° | 57.6° |
| C02 | C03 | C05 | H052 | 180.0° | 60.0° |
| C02 | C03 | C05 | H051 | 60.0° | 180.0° |
| C02 | C03 | C05 | H053 | 60.0° | 60.0° |
| C02 | C03 | C06 | H061 | 156.6° | 62.9° |
| C02 | C03 | C06 | H062 | 84.1° | 177.0° |
| C03 | C02 | C80 | H801 | 133.5° | 62.3° |
| C03 | C02 | O01 | H011 | 180.0° | 180.0° |
| C02 | C03 | O04 | H041 | 59.7° | 180.0° |
| C80 | C02 | C03 | C06 | 58.3° | 57.0° |
| C80 | C02 | C03 | O04 | 61.1° | 176.8° |
| C02 | C80 | C81 | O79 | 122.4° | 119.9° |
| C02 | C80 | C81 | H801 | 118.0° | 120.0° |
| C02 | C80 | O79 | H801 | 119.8° | 119.9° |
| C02 | C80 | O79 | C07 | 47.6° | 61.1° |
| C02 | C80 | C81 | H812 | 180.0° | 60.0° |
| C02 | C80 | C81 | H811 | 60.0° | 180.0° |
| C02 | C80 | C81 | H813 | 60.0° | 60.0° |
| C80 | C02 | O01 | H011 | 57.5° | 60.3° |
| C29 | C28 | C27 | H281 | 120.8° | 120.2° |
| C29 | C28 | C27 | H282 | 120.8° | 119.6° |
| C28 | C29 | O30 | H291 | 118.8° | 121.3° |
| C29 | C28 | C27 | C25 | 138.0° | 76.1° |
| C28 | C29 | O30 | C31 | 136.6° | 150.0° |
| C29 | C28 | H281 | H282 | 117.6° | 120.7° |
| C29 | C28 | C27 | H271 | 19.2° | 45.5° |
| C28 | C29 | C32 | H321 | 178.9° | 167.4° |
| C27 | C28 | C29 | O30 | 70.6° | 106.5° |
| C28 | C27 | C25 | H271 | 119.0° | 121.6° |
| C28 | C27 | C25 | C26 | 57.6° | 95.8° |
| C28 | C27 | C25 | C24 | 178.6° | 144.2° |
| C27 | C28 | H281 | H282 | 117.6° | 120.3° |
| C28 | C27 | C25 | H251 | 62.6° | 24.2° |
| C27 | C28 | C29 | H291 | 49.5° | 14.6° |
| O23 | C17 | C15 | H171 | 120.0° | 119.9° |
| O23 | C17 | C15 | C16 | 62.4° | 62.4° |
| C17 | O23 | C24 | C25 | 179.8° | 178.8° |
| O23 | C17 | C15 | O14 | 179.3° | 177.5° |
| O23 | C17 | C15 | C74 | 55.4° | 57.5° |
| C17 | O23 | C24 | O70 | 61.1° | 58.8° |
| C17 | O23 | C24 | C71 | 58.2° | 61.1° |
| O23 | C17 | C18 | H181 | 48.8° | 174.1° |
| O23 | C17 | C18 | H182 | 168.0° | 54.1° |
| O23 | C24 | C25 | C27 | 65.1° | 173.4° |
| C24 | O23 | C17 | C15 | 58.2° | 61.1° |
| O23 | C24 | C25 | C26 | 56.4° | 53.4° |
| O23 | C24 | C25 | O70 | 118.5° | 120.0° |
| O23 | C24 | C25 | C71 | 122.6° | 119.9° |
| O23 | C24 | O70 | C71 | 121.0° | 119.9° |
| O23 | C24 | C71 | C74 | 55.5° | 57.6° |
| O23 | C24 | C71 | O72 | 176.2° | 177.5° |
| C24 | O23 | C17 | H171 | 61.5° | 58.8° |
| O23 | C24 | C25 | H251 | 176.1° | 66.6° |
| O23 | C24 | C71 | H711 | 64.0° | 62.3° |
| O23 | C24 | O70 | H701 | 38.5° | 55.0° |
| C03 | C06 | C07 | H061 | 120.3° | 119.9° |
| C03 | C06 | C07 | H062 | 120.4° | 119.9° |
| C03 | C06 | C07 | O79 | 25.1° | 57.6° |
| C03 | C06 | C07 | O08 | 147.3° | 177.6° |
| C06 | C03 | C02 | H021 | 178.3° | 62.9° |
| C06 | C03 | C05 | H052 | 57.4° | 59.5° |
| C06 | C03 | C05 | H051 | 177.5° | 60.5° |
| C06 | C03 | C05 | H053 | 62.6° | 179.6° |
| C03 | C06 | H061 | H062 | 119.0° | 120.1° |
| C03 | C06 | C07 | H071 | 93.2° | 62.3° |
| C06 | C03 | O04 | H041 | 61.9° | 60.4° |
| O04 | C03 | C06 | C07 | 83.3° | 176.9° |
| O04 | C03 | C02 | H021 | 59.0° | 56.9° |
| O04 | C03 | C05 | H052 | 60.6° | 179.8° |
| O04 | C03 | C05 | H051 | 59.4° | 59.8° |
| O04 | C03 | C05 | H053 | 179.4° | 60.2° |
| O04 | C03 | C06 | H061 | 37.0° | 56.9° |
| O04 | C03 | C06 | H062 | 156.4° | 63.2° |
| O30 | C29 | C28 | H281 | 50.2° | 133.7° |
| O30 | C29 | C28 | H282 | 168.6° | 13.1° |
| C29 | O30 | C31 | H311 | 180.0° | 60.0° |
| C29 | O30 | C31 | H313 | 60.0° | 60.0° |
| C29 | O30 | C31 | H312 | 60.0° | 180.0° |
| O30 | C29 | C32 | H321 | 58.8° | 47.9° |
| C27 | C25 | C26 | C24 | 120.7° | 120.0° |
| C27 | C25 | C26 | H251 | 119.9° | 120.1° |
| C27 | C25 | C24 | H251 | 118.8° | 120.0° |
| C27 | C25 | C24 | O70 | 53.4° | 53.4° |
| C27 | C25 | C24 | C71 | 172.3° | 66.6° |
| C27 | C25 | C26 | H263 | 180.0° | 60.1° |
| C27 | C25 | C26 | H261 | 60.0° | 59.9° |
| C27 | C25 | C26 | H262 | 60.0° | 180.0° |
| C25 | C27 | C28 | H281 | 17.2° | 163.7° |
| C25 | C27 | C28 | H282 | 101.2° | 43.5° |
| C17 | C15 | C16 | O14 | 119.2° | 120.1° |
| C17 | C15 | C16 | C74 | 120.3° | 119.8° |
| C17 | C15 | O14 | C74 | 124.0° | 119.8° |
| C17 | C15 | O14 | C13 | 53.1° | 65.6° |
| C17 | C15 | C74 | C71 | 52.7° | 57.0° |
| C17 | C15 | C74 | O75 | 173.8° | 176.8° |
| C17 | C15 | C16 | H163 | 180.0° | 179.8° |
| C17 | C15 | C16 | H162 | 60.0° | 59.9° |
| C17 | C15 | C16 | H161 | 60.0° | 60.1° |
| C15 | C17 | C18 | H181 | 73.1° | 54.1° |
| C15 | C17 | C18 | H182 | 46.1° | 65.9° |
| C17 | C15 | C74 | H741 | 67.5° | 62.9° |
| C06 | C07 | O79 | C80 | 70.3° | 61.2° |
| C06 | C07 | O79 | O08 | 121.1° | 120.0° |
| C06 | C07 | O79 | H071 | 118.3° | 120.0° |
| C06 | C07 | O08 | H071 | 118.6° | 120.1° |
| C06 | C07 | O08 | C09 | 122.9° | 163.5° |
| C07 | C06 | H061 | H062 | 118.9° | 120.2° |
| C26 | C25 | C24 | H251 | 119.8° | 120.0° |
| C26 | C25 | C24 | O70 | 174.9° | 66.6° |
| C26 | C25 | C24 | C71 | 66.2° | 173.4° |
| C25 | C26 | H263 | H261 | 120.0° | 120.0° |
| C25 | C26 | H263 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.1° |
| C26 | C25 | C27 | H271 | 176.6° | 142.5° |
| O12 | C10 | C09 | H101 | 118.9° | 120.0° |
| C10 | O12 | C13 | O14 | 173.3° | 178.9° |
| O12 | C10 | C09 | O08 | 175.4° | 177.5° |
| O12 | C10 | C09 | C77 | 64.5° | 57.6° |
| C10 | O12 | C13 | C76 | 53.0° | 61.1° |
| C10 | O12 | C13 | H131 | 66.3° | 58.9° |
| O12 | C10 | C09 | H091 | 54.5° | 62.3° |
| O12 | C10 | C11 | H111 | 180.0° | 65.0° |
| O12 | C10 | C11 | H113 | 60.0° | 55.0° |
| O12 | C10 | C11 | H112 | 60.0° | 175.0° |
| C13 | O12 | C10 | C09 | 62.9° | 61.1° |
| O12 | C13 | O14 | C15 | 91.6° | 85.8° |
| O12 | C13 | O14 | C76 | 122.3° | 120.0° |
| O12 | C13 | O14 | H131 | 119.7° | 120.0° |
| O12 | C13 | C76 | H131 | 119.6° | 120.0° |
| O12 | C13 | C76 | C77 | 47.3° | 57.6° |
| C13 | O12 | C10 | H101 | 56.0° | 58.9° |
| O12 | C13 | C76 | H762 | 168.1° | 177.5° |
| O12 | C13 | C76 | H761 | 73.4° | 62.3° |
| C16 | C15 | O14 | C74 | 118.0° | 120.1° |
| C16 | C15 | O14 | C13 | 171.1° | 174.2° |
| C16 | C15 | C74 | C71 | 65.5° | 63.0° |
| C16 | C15 | C74 | O75 | 55.6° | 56.8° |
| C16 | C15 | C17 | H171 | 177.6° | 177.7° |
| C15 | C16 | H163 | H162 | 120.0° | 120.0° |
| C15 | C16 | H163 | H161 | 120.0° | 120.1° |
| C15 | C16 | H162 | H161 | 120.0° | 120.1° |
| C16 | C15 | C74 | H741 | 174.3° | 177.1° |
| C81 | C80 | O79 | H801 | 118.9° | 120.1° |
| C81 | C80 | O79 | C07 | 168.8° | 178.9° |
| C81 | C80 | C02 | H021 | 11.6° | 57.7° |
| C80 | C81 | H812 | H811 | 120.0° | 120.0° |
| C80 | C81 | H812 | H813 | 120.0° | 120.1° |
| C80 | C81 | H811 | H813 | 120.0° | 120.0° |
| C80 | O79 | C07 | O08 | 168.6° | 178.9° |
| O79 | C80 | C02 | H021 | 133.4° | 62.3° |
| C80 | O79 | C07 | H071 | 48.0° | 58.8° |
| O79 | C80 | C81 | H812 | 57.5° | 59.9° |
| O79 | C80 | C81 | H811 | 177.6° | 60.1° |
| O79 | C80 | C81 | H813 | 62.4° | 180.0° |
| C10 | C09 | O08 | C07 | 104.3° | 144.8° |
| C10 | C09 | O08 | C77 | 119.5° | 119.7° |
| C10 | C09 | O08 | H091 | 120.7° | 120.2° |
| C10 | C09 | C77 | H091 | 118.8° | 119.9° |
| C10 | C09 | C77 | C76 | 57.1° | 56.9° |
| C10 | C09 | C77 | O78 | 63.0° | 62.9° |
| C09 | C10 | C11 | H111 | 58.4° | 55.0° |
| C09 | C10 | C11 | H113 | 61.7° | 175.0° |
| C09 | C10 | C11 | H112 | 178.4° | 65.0° |
| C10 | C09 | C77 | H771 | 177.7° | 176.8° |
| O79 | C07 | O08 | H071 | 119.8° | 120.0° |
| O79 | C07 | O08 | C09 | 115.5° | 76.6° |
| O79 | C07 | C06 | H061 | 95.2° | 62.3° |
| O79 | C07 | C06 | H062 | 145.5° | 177.6° |
| C07 | O79 | C80 | H801 | 72.3° | 58.8° |
| C07 | O08 | C09 | C77 | 136.2° | 95.5° |
| O08 | C07 | C06 | H061 | 27.0° | 57.7° |
| O08 | C07 | C06 | H062 | 92.3° | 62.5° |
| C07 | O08 | C09 | H091 | 16.4° | 24.6° |
| C25 | C24 | O70 | C71 | 120.0° | 120.1° |
| C25 | C24 | C71 | C74 | 177.1° | 177.6° |
| C25 | C24 | C71 | O72 | 62.2° | 62.5° |
| C24 | C25 | C26 | H263 | 59.3° | 179.9° |
| C24 | C25 | C26 | H261 | 179.3° | 60.0° |
| C24 | C25 | C26 | H262 | 60.7° | 60.0° |
| C24 | C25 | C27 | H271 | 62.4° | 22.5° |
| C25 | C24 | C71 | H711 | 57.6° | 57.7° |
| C25 | C24 | O70 | H701 | 80.5° | 175.1° |
| C15 | O14 | C13 | C76 | 146.1° | 154.2° |
| O14 | C15 | C74 | C71 | 175.9° | 176.9° |
| O14 | C15 | C74 | O75 | 63.0° | 63.2° |
| C15 | O14 | C13 | H131 | 28.1° | 34.2° |
| O14 | C15 | C17 | H171 | 59.3° | 57.6° |
| O14 | C15 | C16 | H163 | 60.8° | 60.1° |
| O14 | C15 | C16 | H162 | 179.2° | 180.0° |
| O14 | C15 | C16 | H161 | 59.3° | 60.0° |
| O14 | C15 | C74 | H741 | 55.6° | 57.0° |
| C15 | C74 | C71 | C24 | 52.5° | 57.0° |
| C74 | C15 | O14 | C13 | 70.9° | 54.1° |
| C15 | C74 | C71 | O75 | 121.6° | 119.9° |
| C15 | C74 | C71 | H741 | 120.3° | 119.8° |
| C15 | C74 | C71 | O72 | 173.7° | 176.9° |
| C15 | C74 | O75 | H741 | 118.7° | 120.2° |
| C74 | C15 | C17 | H171 | 64.7° | 62.3° |
| C74 | C15 | C16 | H163 | 59.7° | 60.0° |
| C74 | C15 | C16 | H162 | 60.3° | 59.9° |
| C74 | C15 | C16 | H161 | 179.7° | 179.8° |
| C15 | C74 | C71 | H711 | 66.7° | 63.0° |
| C15 | C74 | O75 | H751 | 180.0° | 179.5° |
| O70 | C24 | C71 | C74 | 63.9° | 62.3° |
| O70 | C24 | C71 | O72 | 56.9° | 57.5° |
| O70 | C24 | C25 | H251 | 65.4° | 173.4° |
| O70 | C24 | C71 | H711 | 176.6° | 177.8° |
| C24 | C71 | C74 | O72 | 121.2° | 119.9° |
| C24 | C71 | C74 | H711 | 119.2° | 119.9° |
| C24 | C71 | O72 | H711 | 118.8° | 120.2° |
| C24 | C71 | C74 | O75 | 174.1° | 176.8° |
| C24 | C71 | O72 | C73 | 123.5° | 152.8° |
| C71 | C24 | C25 | H251 | 53.5° | 53.4° |
| C24 | C71 | C74 | H741 | 67.8° | 62.8° |
| C71 | C24 | O70 | H701 | 159.5° | 64.9° |
| C31 | O30 | C29 | H291 | 17.8° | 28.7° |
| O30 | C31 | H311 | H313 | 120.0° | 120.0° |
| O30 | C31 | H311 | H312 | 120.0° | 120.0° |
| O30 | C31 | H313 | H312 | 120.0° | 120.0° |
| O14 | C13 | C76 | H131 | 118.9° | 120.0° |
| O14 | C13 | C76 | C77 | 168.9° | 177.6° |
| O14 | C13 | C76 | H762 | 70.4° | 62.5° |
| O14 | C13 | C76 | H761 | 48.2° | 57.7° |
| O08 | C09 | C77 | H091 | 119.8° | 120.1° |
| O08 | C09 | C77 | C76 | 178.5° | 176.9° |
| O08 | C09 | C77 | O78 | 58.4° | 57.0° |
| O08 | C09 | C10 | H101 | 65.7° | 57.5° |
| C09 | O08 | C07 | H071 | 4.2° | 43.4° |
| O08 | C09 | C77 | H771 | 60.9° | 63.2° |
| C09 | C77 | C76 | C13 | 49.7° | 56.9° |
| C09 | C77 | C76 | O78 | 119.5° | 119.8° |
| C09 | C77 | C76 | H771 | 120.8° | 119.8° |
| C09 | C77 | O78 | H771 | 119.1° | 120.2° |
| C77 | C09 | C10 | H101 | 54.4° | 62.4° |
| C09 | C77 | C76 | H762 | 170.4° | 176.9° |
| C09 | C77 | C76 | H761 | 71.0° | 63.0° |
| C09 | C77 | O78 | H781 | 180.0° | 180.0° |
| C13 | C76 | C77 | H762 | 120.7° | 120.0° |
| C13 | C76 | C77 | H761 | 120.7° | 120.0° |
| C13 | C76 | C77 | O78 | 69.8° | 62.9° |
| C13 | C76 | H762 | H761 | 117.8° | 120.2° |
| C13 | C76 | C77 | H771 | 170.4° | 176.8° |
| C74 | C71 | O72 | H711 | 119.1° | 120.1° |
| C71 | C74 | O75 | H741 | 118.1° | 120.3° |
| C74 | C71 | O72 | C73 | 114.4° | 87.5° |
| C71 | C74 | O75 | H751 | 56.8° | 59.9° |
| O72 | C71 | C74 | O75 | 64.7° | 63.3° |
| C71 | O72 | C73 | H732 | 180.0° | 170.8° |
| C71 | O72 | C73 | H731 | 60.0° | 50.8° |
| C71 | O72 | C73 | H733 | 60.0° | 69.2° |
| O72 | C71 | C74 | H741 | 53.4° | 57.1° |
| O75 | C74 | C71 | H711 | 54.9° | 56.9° |
| C76 | C77 | O78 | H771 | 119.4° | 120.3° |
| C77 | C76 | C13 | H131 | 72.2° | 62.4° |
| C76 | C77 | C09 | H091 | 61.7° | 63.0° |
| C77 | C76 | H762 | H761 | 117.8° | 120.1° |
| C76 | C77 | O78 | H781 | 58.5° | 60.5° |
| O78 | C77 | C09 | H091 | 178.2° | 177.2° |
| O78 | C77 | C76 | H762 | 50.9° | 57.1° |
| O78 | C77 | C76 | H761 | 169.5° | 177.2° |
| C73 | O72 | C71 | H711 | 4.6° | 32.6° |
| O72 | C73 | H732 | H731 | 120.0° | 120.0° |
| O72 | C73 | H732 | H733 | 120.0° | 119.9° |
| O72 | C73 | H731 | H733 | 120.0° | 120.0° |
| H101 | C10 | C09 | H091 | 173.4° | 177.7° |
| H101 | C10 | C11 | H111 | 61.3° | 175.0° |
| H101 | C10 | C11 | H113 | 178.7° | 65.0° |
| H101 | C10 | C11 | H112 | 58.7° | 55.0° |
| H131 | C13 | C76 | H762 | 48.5° | 57.5° |
| H131 | C13 | C76 | H761 | 167.1° | 177.7° |
| H171 | C17 | C18 | H181 | 167.9° | 65.9° |
| H171 | C17 | C18 | H182 | 72.9° | 174.0° |
| H201 | C20 | C19 | H192 | 115.5° | 59.9° |
| H201 | C20 | C19 | H191 | 125.2° | 180.0° |
| H202 | C20 | C19 | H192 | 4.8° | NaN° |
| H202 | C20 | C19 | H191 | 114.5° | 59.9° |
| H221 | C22 | H222 | H223 | 120.0° | 119.9° |
| H263 | C26 | H261 | H262 | 120.0° | 120.0° |
| H263 | C26 | C25 | H251 | 60.1° | 60.0° |
| H261 | C26 | C25 | H251 | 59.9° | 180.0° |
| H262 | C26 | C25 | H251 | 179.8° | 59.9° |
| H281 | C28 | C27 | H271 | 101.6° | 74.6° |
| H281 | C28 | C29 | H291 | 170.3° | 105.2° |
| H282 | C28 | C27 | H271 | 140.0° | 165.1° |
| H282 | C28 | C29 | H291 | 71.3° | 134.2° |
| H021 | C02 | C80 | H801 | 106.3° | 177.7° |
| H021 | C02 | O01 | H011 | 61.1° | 59.8° |
| H052 | C05 | H051 | H053 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 146.5° | 177.8° |
| H062 | C06 | C07 | H071 | 27.2° | 57.6° |
| H091 | C09 | C77 | H771 | 58.9° | 56.9° |
| H111 | C11 | H113 | H112 | 120.0° | 120.0° |
| H163 | C16 | H162 | H161 | 120.0° | 120.0° |
| H181 | C18 | C19 | H192 | 158.5° | 55.1° |
| H181 | C18 | C19 | H191 | 39.2° | 175.1° |
| H182 | C18 | C19 | H192 | 82.3° | 175.1° |
| H182 | C18 | C19 | H191 | 158.4° | 64.8° |
| H251 | C25 | C27 | H271 | 56.4° | 97.4° |
| H291 | C29 | C32 | H321 | 62.0° | 72.4° |
| H311 | C31 | H313 | H312 | 119.9° | 120.0° |
| H321 | C32 | C34 | H341 | 175.0° | 128.2° |
| H321 | C32 | O33 | H331 | 59.6° | 67.0° |
| H361 | C36 | H363 | H362 | 120.0° | 120.0° |
| H391 | C39 | H392 | H393 | 120.0° | 120.0° |
| H423 | C42 | H421 | H422 | 120.0° | 120.0° |
| H431 | C43 | C55 | H551 | 143.4° | 74.9° |
| H451 | C45 | C46 | H461 | 52.8° | 57.6° |
| H461 | C46 | C48 | H481 | 179.6° | 177.1° |
| H461 | C46 | O47 | H471 | 60.5° | 60.1° |
| H481 | C48 | C50 | H501 | 178.8° | 177.2° |
| H481 | C48 | O49 | H491 | 60.1° | 60.2° |
| H501 | C50 | C52 | H521 | 177.6° | 177.7° |
| H501 | C50 | O51 | H511 | 59.9° | 59.9° |
| H521 | C52 | C53 | H532 | 61.5° | 60.0° |
| H521 | C52 | C53 | H531 | 178.5° | 60.0° |
| H521 | C52 | C53 | H533 | 58.5° | 179.9° |
| H532 | C53 | H531 | H533 | 120.0° | 120.0° |
| H551 | C55 | C56 | H563 | 57.8° | 56.5° |
| H551 | C55 | C56 | H562 | 177.8° | 63.4° |
| H551 | C55 | C56 | H561 | 62.3° | 176.6° |
| H551 | C55 | C57 | H571 | 176.0° | 140.9° |
| H563 | C56 | H562 | H561 | 120.0° | 120.0° |
| H591 | C59 | H593 | H592 | 120.0° | 119.9° |
| H632 | C63 | H633 | H631 | 120.0° | 120.0° |
| H662 | C66 | H663 | H661 | 120.0° | 120.0° |
| H711 | C71 | C74 | H741 | 173.0° | 177.3° |
| H732 | C73 | H731 | H733 | 120.0° | 120.1° |
| H741 | C74 | O75 | H751 | 61.3° | 60.4° |
| H762 | C76 | C77 | H771 | 68.9° | 63.3° |
| H761 | C76 | C77 | H771 | 49.7° | 56.8° |
| H771 | C77 | O78 | H781 | 60.9° | 59.8° |
| H801 | C80 | C81 | H812 | 62.0° | 180.0° |
| H801 | C80 | C81 | H811 | 58.1° | 60.0° |
| H801 | C80 | C81 | H813 | 178.0° | 60.0° |
| H812 | C81 | H811 | H813 | 120.0° | 120.0° |
