A1L26
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.55Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C07 | C06 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | sing | 1.53Å | 1.55Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.51Å | 1.56Å | |
| O19 | C18 | doub | 1.21Å | 1.18Å | |
| O20 | C18 | sing | 1.34Å | 1.43Å | |
| C21 | O20 | sing | 1.45Å | 1.40Å | |
| O23 | C22 | sing | 1.45Å | 1.42Å | |
| C24 | O23 | sing | 1.34Å | 1.42Å | |
| O25 | C24 | doub | 1.21Å | 1.19Å | |
| C26 | C24 | sing | 1.51Å | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.56Å | |
| C28 | C27 | sing | 1.53Å | 1.56Å | |
| C29 | C28 | sing | 1.51Å | 1.55Å | |
| C30 | C29 | doub | 1.31Å | 1.35Å | |
| C31 | C30 | sing | 1.51Å | 1.55Å | |
| C32 | C31 | sing | 1.51Å | 1.55Å | |
| C33 | C32 | doub | 1.31Å | 1.35Å | |
| C34 | C33 | sing | 1.51Å | 1.55Å | |
| C35 | C34 | sing | 1.51Å | 1.56Å | |
| C36 | C35 | doub | 1.31Å | 1.35Å | |
| C37 | C36 | sing | 1.51Å | 1.55Å | |
| C38 | C37 | sing | 1.51Å | 1.56Å | |
| C39 | C38 | doub | 1.31Å | 1.35Å | |
| C40 | C39 | sing | 1.51Å | 1.55Å | |
| C41 | C40 | sing | 1.53Å | 1.56Å | |
| C42 | C41 | sing | 1.53Å | 1.56Å | |
| C43 | C42 | sing | 1.53Å | 1.55Å | |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C45 | C21 | sing | 1.53Å | 1.53Å | |
| O46 | C45 | sing | 1.43Å | 1.42Å | |
| P47 | O46 | sing | 1.61Å | 1.68Å | |
| O48 | P47 | sing | 1.61Å | 1.51Å | |
| O49 | P47 | doub | 1.48Å | 1.50Å | |
| O50 | P47 | sing | 1.61Å | 1.67Å | |
| C51 | O50 | sing | 1.43Å | 1.41Å | |
| C52 | C51 | sing | 1.53Å | 1.54Å | |
| O57 | C56 | sing | 1.43Å | 1.42Å | |
| C56 | C55 | sing | 1.53Å | 1.55Å | |
| O58 | C55 | sing | 1.43Å | 1.42Å | |
| C55 | C54 | sing | 1.53Å | 1.54Å | |
| O59 | C54 | sing | 1.43Å | 1.42Å | |
| P60 | O59 | sing | 1.61Å | 1.66Å | |
| O61 | P60 | sing | 1.61Å | 1.51Å | |
| O62 | P60 | doub | 1.48Å | 1.51Å | |
| O63 | P60 | sing | 1.61Å | 1.51Å | |
| C54 | C53 | sing | 1.53Å | 1.54Å | |
| O64 | C53 | sing | 1.43Å | 1.40Å | |
| P65 | O64 | sing | 1.61Å | 1.65Å | |
| O66 | P65 | doub | 1.48Å | 1.51Å | |
| O67 | P65 | sing | 1.61Å | 1.51Å | |
| O68 | P65 | sing | 1.61Å | 1.51Å | |
| C53 | C52 | sing | 1.53Å | 1.53Å | |
| O69 | C52 | sing | 1.43Å | 1.41Å | |
| C51 | C56 | sing | 1.53Å | 1.55Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | 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 | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| O48 | H1 | sing | 0.97Å | 0.95Å | |
| O57 | H571 | sing | 0.97Å | 0.95Å | |
| O58 | H581 | sing | 0.97Å | 0.95Å | |
| O61 | H2 | sing | 0.97Å | 0.95Å | |
| O63 | H3 | sing | 0.97Å | 0.95Å | |
| O67 | H4 | sing | 0.97Å | 0.95Å | |
| O68 | H5 | sing | 0.97Å | 0.95Å | |
| O69 | H691 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.2° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H022 | 108.8° | 109.5° |
| C01 | C02 | H021 | 108.8° | 109.5° |
| C02 | C03 | C04 | 111.9° | 109.5° |
| C03 | C02 | H022 | 108.8° | 109.4° |
| C03 | C02 | H021 | 108.8° | 109.5° |
| C02 | C03 | H032 | 108.9° | 109.4° |
| C02 | C03 | H031 | 108.9° | 109.5° |
| C03 | C04 | C05 | 112.2° | 109.5° |
| C04 | C03 | H032 | 108.9° | 109.4° |
| C04 | C03 | H031 | 108.9° | 109.5° |
| C03 | C04 | H042 | 108.8° | 109.4° |
| C03 | C04 | H041 | 108.8° | 109.5° |
| C04 | C05 | C06 | 112.4° | 109.4° |
| C05 | C04 | H042 | 108.8° | 109.5° |
| C05 | C04 | H041 | 108.8° | 109.5° |
| C04 | C05 | H052 | 108.7° | 109.5° |
| C04 | C05 | H051 | 108.7° | 109.5° |
| C05 | C06 | C07 | 111.1° | 109.5° |
| C06 | C05 | H052 | 108.7° | 109.4° |
| C06 | C05 | H051 | 108.7° | 109.5° |
| C05 | C06 | H062 | 109.1° | 109.4° |
| C05 | C06 | H061 | 109.1° | 109.5° |
| C06 | C07 | C08 | 111.2° | 109.5° |
| C07 | C06 | H062 | 109.1° | 109.4° |
| C07 | C06 | H061 | 109.1° | 109.5° |
| C06 | C07 | H072 | 109.0° | 109.4° |
| C06 | C07 | H071 | 109.0° | 109.5° |
| C07 | C08 | C09 | 112.6° | 109.5° |
| C08 | C07 | H072 | 109.0° | 109.5° |
| C08 | C07 | H071 | 109.0° | 109.5° |
| C07 | C08 | H081 | 108.7° | 109.5° |
| C07 | C08 | H082 | 108.7° | 109.5° |
| C08 | C09 | C10 | 112.4° | 109.5° |
| C09 | C08 | H081 | 108.7° | 109.4° |
| C09 | C08 | H082 | 108.7° | 109.5° |
| C08 | C09 | H091 | 108.7° | 109.5° |
| C08 | C09 | H092 | 108.7° | 109.4° |
| C09 | C10 | C11 | 111.0° | 109.5° |
| C09 | C10 | H102 | 109.1° | 109.5° |
| C09 | C10 | H101 | 109.1° | 109.5° |
| C10 | C09 | H091 | 108.7° | 109.5° |
| C10 | C09 | H092 | 108.7° | 109.5° |
| C10 | C11 | C12 | 112.5° | 109.5° |
| C11 | C10 | H102 | 109.1° | 109.4° |
| C11 | C10 | H101 | 109.1° | 109.5° |
| C10 | C11 | H112 | 108.7° | 109.4° |
| C10 | C11 | H111 | 108.7° | 109.5° |
| C11 | C12 | C13 | 112.1° | 109.5° |
| C12 | C11 | H112 | 108.7° | 109.4° |
| C12 | C11 | H111 | 108.7° | 109.5° |
| C11 | C12 | H121 | 108.8° | 109.5° |
| C11 | C12 | H122 | 108.8° | 109.4° |
| C12 | C13 | C14 | 111.1° | 109.5° |
| C12 | C13 | H132 | 109.1° | 109.5° |
| C12 | C13 | H131 | 109.1° | 109.5° |
| C13 | C12 | H121 | 108.8° | 109.5° |
| C13 | C12 | H122 | 108.8° | 109.5° |
| C13 | C14 | C15 | 111.4° | 109.5° |
| C14 | C13 | H132 | 109.1° | 109.4° |
| C14 | C13 | H131 | 109.1° | 109.5° |
| C13 | C14 | H142 | 109.0° | 109.4° |
| C13 | C14 | H141 | 109.0° | 109.5° |
| C14 | C15 | C16 | 111.7° | 109.5° |
| C14 | C15 | H151 | 108.9° | 109.5° |
| C14 | C15 | H152 | 108.9° | 109.4° |
| C15 | C14 | H142 | 109.0° | 109.5° |
| C15 | C14 | H141 | 109.0° | 109.5° |
| C15 | C16 | C17 | 112.5° | 109.5° |
| C16 | C15 | H151 | 108.9° | 109.5° |
| C16 | C15 | H152 | 108.9° | 109.5° |
| C15 | C16 | H161 | 108.7° | 109.5° |
| C15 | C16 | H162 | 108.7° | 109.5° |
| C16 | C17 | C18 | 111.0° | 109.5° |
| C16 | C17 | H172 | 109.1° | 109.5° |
| C16 | C17 | H171 | 109.1° | 109.5° |
| C17 | C16 | H161 | 108.7° | 109.5° |
| C17 | C16 | H162 | 108.7° | 109.4° |
| C17 | C18 | O19 | 120.3° | 120.0° |
| C17 | C18 | O20 | 119.2° | 120.0° |
| C18 | C17 | H172 | 109.1° | 109.5° |
| C18 | C17 | H171 | 109.1° | 109.4° |
| O19 | C18 | O20 | 120.6° | 120.0° |
| C18 | O20 | C21 | 114.2° | 117.0° |
| O20 | C21 | C22 | 109.1° | 109.5° |
| O20 | C21 | C45 | 110.1° | 109.5° |
| O20 | C21 | H211 | 110.8° | 109.4° |
| C22 | O23 | C24 | 113.4° | 117.0° |
| O23 | C22 | C21 | 107.9° | 109.4° |
| O23 | C22 | H222 | 109.9° | 109.5° |
| O23 | C22 | H221 | 109.8° | 109.4° |
| O23 | C24 | O25 | 120.1° | 120.0° |
| O23 | C24 | C26 | 119.6° | 120.0° |
| O25 | C24 | C26 | 120.3° | 120.0° |
| C24 | C26 | C27 | 111.7° | 109.5° |
| C24 | C26 | H261 | 108.9° | 109.4° |
| C24 | C26 | H262 | 108.9° | 109.5° |
| C26 | C27 | C28 | 112.2° | 109.5° |
| C27 | C26 | H261 | 108.9° | 109.5° |
| C27 | C26 | H262 | 108.9° | 109.5° |
| C26 | C27 | H272 | 108.8° | 109.5° |
| C26 | C27 | H271 | 108.8° | 109.5° |
| C27 | C28 | C29 | 109.4° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.4° |
| C27 | C28 | H281 | 109.5° | 109.4° |
| C28 | C27 | H272 | 108.8° | 109.4° |
| C28 | C27 | H271 | 108.8° | 109.5° |
| C28 | C29 | C30 | 110.9° | 120.0° |
| C29 | C28 | H282 | 109.5° | 109.5° |
| C29 | C28 | H281 | 109.5° | 109.5° |
| C28 | C29 | H291 | 124.5° | 120.0° |
| C29 | C30 | C31 | 115.9° | 120.0° |
| C30 | C29 | H291 | 124.5° | 120.0° |
| C29 | C30 | H301 | 122.0° | 120.0° |
| C30 | C31 | C32 | 108.8° | 109.4° |
| C31 | C30 | H301 | 122.1° | 120.0° |
| C30 | C31 | H311 | 109.6° | 109.5° |
| C30 | C31 | H312 | 109.6° | 109.5° |
| C31 | C32 | C33 | 111.5° | 120.0° |
| C32 | C31 | H311 | 109.6° | 109.5° |
| C32 | C31 | H312 | 109.6° | 109.5° |
| C31 | C32 | H321 | 124.3° | 120.0° |
| C32 | C33 | C34 | 115.2° | 120.0° |
| C33 | C32 | H321 | 124.3° | 120.0° |
| C32 | C33 | H331 | 122.4° | 120.0° |
| C33 | C34 | C35 | 109.6° | 109.5° |
| C34 | C33 | H331 | 122.4° | 120.0° |
| C33 | C34 | H342 | 109.4° | 109.5° |
| C33 | C34 | H341 | 109.5° | 109.5° |
| C34 | C35 | C36 | 111.2° | 120.0° |
| C35 | C34 | H342 | 109.5° | 109.4° |
| C35 | C34 | H341 | 109.4° | 109.4° |
| C34 | C35 | H351 | 124.4° | 120.0° |
| C35 | C36 | C37 | 115.5° | 120.0° |
| C36 | C35 | H351 | 124.4° | 120.0° |
| C35 | C36 | H361 | 122.3° | 120.0° |
| C36 | C37 | C38 | 109.2° | 109.5° |
| C37 | C36 | H361 | 122.3° | 120.0° |
| C36 | C37 | H372 | 109.5° | 109.4° |
| C36 | C37 | H371 | 109.5° | 109.5° |
| C37 | C38 | C39 | 111.1° | 120.0° |
| C38 | C37 | H372 | 109.6° | 109.5° |
| C38 | C37 | H371 | 109.5° | 109.5° |
| C37 | C38 | H381 | 124.4° | 120.0° |
| C38 | C39 | C40 | 115.7° | 120.0° |
| C39 | C38 | H381 | 124.5° | 120.0° |
| C38 | C39 | H391 | 122.1° | 120.0° |
| C39 | C40 | C41 | 109.0° | 109.5° |
| C40 | C39 | H391 | 122.1° | 120.0° |
| C39 | C40 | H401 | 109.6° | 109.5° |
| C39 | C40 | H402 | 109.6° | 109.5° |
| C40 | C41 | C42 | 112.2° | 109.5° |
| C41 | C40 | H401 | 109.6° | 109.5° |
| C41 | C40 | H402 | 109.6° | 109.4° |
| C40 | C41 | H411 | 108.8° | 109.5° |
| C40 | C41 | H412 | 108.8° | 109.4° |
| C41 | C42 | C43 | 112.2° | 109.4° |
| C42 | C41 | H411 | 108.8° | 109.5° |
| C42 | C41 | H412 | 108.8° | 109.5° |
| C41 | C42 | H422 | 108.8° | 109.4° |
| C41 | C42 | H421 | 108.8° | 109.5° |
| C42 | C43 | C44 | 112.2° | 109.5° |
| C43 | C42 | H422 | 108.8° | 109.5° |
| C43 | C42 | H421 | 108.8° | 109.4° |
| C42 | C43 | H431 | 108.8° | 109.5° |
| C42 | C43 | H432 | 108.8° | 109.5° |
| C44 | C43 | H431 | 108.8° | 109.5° |
| C44 | C43 | H432 | 108.8° | 109.4° |
| C43 | C44 | H441 | 109.5° | 109.5° |
| C43 | C44 | H442 | 109.5° | 109.5° |
| C43 | C44 | H443 | 109.5° | 109.5° |
| C22 | C21 | C45 | 109.0° | 109.5° |
| C22 | C21 | H211 | 108.8° | 109.5° |
| C21 | C22 | H222 | 109.9° | 109.5° |
| C21 | C22 | H221 | 109.9° | 109.5° |
| C21 | C45 | O46 | 107.0° | 109.4° |
| C45 | C21 | H211 | 109.0° | 109.5° |
| C21 | C45 | H451 | 110.1° | 109.5° |
| C21 | C45 | H452 | 110.1° | 109.5° |
| C45 | O46 | P47 | 119.0° | 123.0° |
| O46 | C45 | H451 | 110.1° | 109.5° |
| O46 | C45 | H452 | 110.1° | 109.5° |
| O46 | P47 | O48 | 109.6° | 109.5° |
| O46 | P47 | O49 | 110.1° | 109.5° |
| O46 | P47 | O50 | 108.0° | 109.5° |
| O48 | P47 | O49 | 109.9° | 109.5° |
| O48 | P47 | O50 | 109.4° | 109.4° |
| P47 | O48 | H1 | 109.5° | 114.0° |
| O49 | P47 | O50 | 109.9° | 109.4° |
| P47 | O50 | C51 | 117.8° | 123.0° |
| O50 | C51 | C52 | 107.5° | 109.5° |
| O50 | C51 | C56 | 107.5° | 109.5° |
| O50 | C51 | H511 | 109.4° | 109.5° |
| C51 | C52 | C53 | 113.3° | 109.5° |
| C51 | C52 | O69 | 108.3° | 109.5° |
| C52 | C51 | C56 | 116.8° | 109.5° |
| C52 | C51 | H511 | 107.8° | 109.5° |
| C51 | C52 | H521 | 108.3° | 109.4° |
| O57 | C56 | C55 | 107.7° | 109.5° |
| O57 | C56 | C51 | 108.0° | 109.4° |
| O57 | C56 | H561 | 109.2° | 109.4° |
| C56 | O57 | H571 | 109.5° | 114.0° |
| C56 | C55 | O58 | 111.3° | 109.5° |
| C56 | C55 | C54 | 114.6° | 109.5° |
| C55 | C56 | C51 | 116.9° | 109.5° |
| C56 | C55 | H551 | 105.0° | 109.4° |
| C55 | C56 | H561 | 107.5° | 109.5° |
| O58 | C55 | C54 | 113.6° | 109.5° |
| O58 | C55 | H551 | 106.3° | 109.5° |
| C55 | O58 | H581 | 109.5° | 114.0° |
| C55 | C54 | O59 | 114.7° | 109.5° |
| C55 | C54 | C53 | 108.4° | 109.5° |
| C55 | C54 | H541 | 108.3° | 109.5° |
| C54 | C55 | H551 | 105.1° | 109.5° |
| C54 | O59 | P60 | 124.1° | 123.0° |
| O59 | C54 | C53 | 107.1° | 109.4° |
| O59 | C54 | H541 | 109.9° | 109.5° |
| O59 | P60 | O61 | 110.0° | 109.5° |
| O59 | P60 | O62 | 109.5° | 109.5° |
| O59 | P60 | O63 | 109.3° | 109.4° |
| O61 | P60 | O62 | 109.6° | 109.5° |
| O61 | P60 | O63 | 109.1° | 109.5° |
| P60 | O61 | H2 | 109.5° | 114.0° |
| O62 | P60 | O63 | 109.3° | 109.5° |
| P60 | O63 | H3 | 109.5° | 114.0° |
| C54 | C53 | O64 | 109.3° | 109.5° |
| C54 | C53 | C52 | 109.2° | 109.5° |
| C54 | C53 | H531 | 109.3° | 109.5° |
| C53 | C54 | H541 | 108.3° | 109.5° |
| C53 | O64 | P65 | 118.6° | 122.9° |
| O64 | C53 | C52 | 108.6° | 109.4° |
| O64 | C53 | H531 | 111.1° | 109.5° |
| O64 | P65 | O66 | 109.5° | 109.5° |
| O64 | P65 | O67 | 109.5° | 109.5° |
| O64 | P65 | O68 | 109.4° | 109.4° |
| O66 | P65 | O67 | 109.5° | 109.5° |
| O66 | P65 | O68 | 109.4° | 109.5° |
| O67 | P65 | O68 | 109.6° | 109.4° |
| P65 | O67 | H4 | 109.5° | 114.0° |
| P65 | O68 | H5 | 109.5° | 114.0° |
| C53 | C52 | O69 | 108.3° | 109.5° |
| C53 | C52 | H521 | 108.4° | 109.5° |
| C52 | C53 | H531 | 109.3° | 109.5° |
| O69 | C52 | H521 | 110.1° | 109.4° |
| C52 | O69 | H691 | 109.5° | 114.0° |
| C56 | C51 | H511 | 107.7° | 109.5° |
| C51 | C56 | H561 | 107.5° | 109.5° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H132 | C13 | H131 | 109.4° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.4° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H272 | C27 | H271 | 109.4° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.4° |
| H441 | C44 | H443 | 109.5° | 109.5° |
| H442 | C44 | H443 | 109.5° | 109.4° |
| H451 | C45 | H452 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H022 | 120.4° | 119.9° |
| C01 | C02 | C03 | H021 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 8.5° | 180.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C01 | C02 | H022 | H021 | 118.8° | 120.1° |
| C01 | C02 | C03 | H032 | 111.9° | 60.1° |
| C01 | C02 | C03 | H031 | 128.9° | 59.9° |
| C02 | C03 | C04 | H032 | 120.4° | 119.9° |
| C02 | C03 | C04 | H031 | 120.4° | 120.1° |
| C02 | C03 | C04 | C05 | 151.8° | 180.0° |
| C03 | C02 | C01 | H011 | 180.0° | 180.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.1° |
| C03 | C02 | H022 | H021 | 118.8° | 120.0° |
| C02 | C03 | H032 | H031 | 118.9° | 120.0° |
| C02 | C03 | C04 | H042 | 31.4° | 60.0° |
| C02 | C03 | C04 | H041 | 87.7° | 59.9° |
| C03 | C04 | C05 | H042 | 120.4° | 119.9° |
| C03 | C04 | C05 | H041 | 120.4° | 120.1° |
| C03 | C04 | C05 | C06 | 27.8° | 180.0° |
| C04 | C03 | C02 | H022 | 128.9° | 60.1° |
| C04 | C03 | C02 | H021 | 111.9° | 60.0° |
| C04 | C03 | H032 | H031 | 118.9° | 120.0° |
| C03 | C04 | H042 | H041 | 118.7° | 120.0° |
| C03 | C04 | C05 | H052 | 92.6° | 60.1° |
| C03 | C04 | C05 | H051 | 148.3° | 60.0° |
| C04 | C05 | C06 | H052 | 120.4° | 119.9° |
| C04 | C05 | C06 | H051 | 120.5° | 120.0° |
| C04 | C05 | C06 | C07 | 123.8° | 180.0° |
| C05 | C04 | C03 | H032 | 87.8° | 60.1° |
| C05 | C04 | C03 | H031 | 31.5° | 59.9° |
| C05 | C04 | H042 | H041 | 118.8° | 120.1° |
| C04 | C05 | H052 | H051 | 118.7° | 120.1° |
| C04 | C05 | C06 | H062 | 3.6° | 60.1° |
| C04 | C05 | C06 | H061 | 116.0° | 60.0° |
| C05 | C06 | C07 | H062 | 120.2° | 119.9° |
| C05 | C06 | C07 | H061 | 120.2° | 120.0° |
| C05 | C06 | C07 | C08 | 21.5° | 180.0° |
| C06 | C05 | C04 | H042 | 148.3° | 60.1° |
| C06 | C05 | C04 | H041 | 92.6° | 59.9° |
| C06 | C05 | H052 | H051 | 118.6° | 120.0° |
| C05 | C06 | H062 | H061 | 119.3° | 120.0° |
| C05 | C06 | C07 | H072 | 98.8° | 60.1° |
| C05 | C06 | C07 | H071 | 141.7° | 59.9° |
| C06 | C07 | C08 | H072 | 120.2° | 119.9° |
| C06 | C07 | C08 | H071 | 120.3° | 120.0° |
| C06 | C07 | C08 | C09 | 138.3° | 180.0° |
| C07 | C06 | C05 | H052 | 115.8° | 60.1° |
| C07 | C06 | C05 | H051 | 3.3° | 60.0° |
| C07 | C06 | H062 | H061 | 119.3° | 120.0° |
| C06 | C07 | H072 | H071 | 119.2° | 120.0° |
| C06 | C07 | C08 | H081 | 17.8° | 60.1° |
| C06 | C07 | C08 | H082 | 101.2° | 59.9° |
| C07 | C08 | C09 | H081 | 120.5° | 120.0° |
| C07 | C08 | C09 | H082 | 120.5° | 120.1° |
| C07 | C08 | C09 | C10 | 2.1° | NaN° |
| C08 | C07 | C06 | H062 | 141.7° | 60.1° |
| C08 | C07 | C06 | H061 | 98.8° | 60.0° |
| C08 | C07 | H072 | H071 | 119.2° | 120.1° |
| C07 | C08 | H081 | H082 | 118.6° | 120.0° |
| C07 | C08 | C09 | H091 | 122.5° | 59.9° |
| C07 | C08 | C09 | H092 | 118.3° | 60.0° |
| C08 | C09 | C10 | H091 | 120.5° | 120.0° |
| C08 | C09 | C10 | H092 | 120.4° | 120.0° |
| C08 | C09 | C10 | C11 | 96.4° | 180.0° |
| C08 | C09 | C10 | H102 | 23.8° | 60.1° |
| C08 | C09 | C10 | H101 | 143.3° | 60.0° |
| C09 | C08 | C07 | H072 | 101.5° | 60.1° |
| C09 | C08 | C07 | H071 | 18.1° | 60.0° |
| C09 | C08 | H081 | H082 | 118.6° | 120.0° |
| C08 | C09 | H091 | H092 | 118.7° | 119.9° |
| C09 | C10 | C11 | H102 | 120.3° | 119.9° |
| C09 | C10 | C11 | H101 | 120.2° | 120.1° |
| C09 | C10 | C11 | C12 | 79.7° | 180.0° |
| C09 | C10 | H102 | H101 | 119.3° | 120.1° |
| C10 | C09 | C08 | H081 | 118.4° | 60.0° |
| C10 | C09 | C08 | H082 | 122.5° | 59.9° |
| C10 | C09 | H091 | H092 | 118.6° | 120.0° |
| C09 | C10 | C11 | H112 | 40.8° | 60.1° |
| C09 | C10 | C11 | H111 | 159.8° | 59.9° |
| C10 | C11 | C12 | H112 | 120.5° | 119.9° |
| C10 | C11 | C12 | H111 | 120.5° | 120.1° |
| C10 | C11 | C12 | C13 | 74.2° | 180.0° |
| C11 | C10 | H102 | H101 | 119.3° | 120.0° |
| C11 | C10 | C09 | H091 | 143.1° | 60.0° |
| C11 | C10 | C09 | H092 | 24.0° | 60.1° |
| C10 | C11 | H112 | H111 | 118.6° | 120.0° |
| C10 | C11 | C12 | H121 | 46.2° | 59.9° |
| C10 | C11 | C12 | H122 | 165.4° | 60.0° |
| C11 | C12 | C13 | H121 | 120.4° | 120.1° |
| C11 | C12 | C13 | H122 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 120.0° | 180.0° |
| C12 | C11 | C10 | H102 | 160.0° | 60.1° |
| C12 | C11 | C10 | H101 | 40.5° | 59.9° |
| C11 | C12 | C13 | H132 | 0.3° | 60.0° |
| C11 | C12 | C13 | H131 | 119.8° | 59.9° |
| C12 | C11 | H112 | H111 | 118.6° | 120.0° |
| C11 | C12 | H121 | H122 | 118.8° | 119.9° |
| C12 | C13 | C14 | H132 | 120.3° | 120.0° |
| C12 | C13 | C14 | H131 | 120.2° | 120.1° |
| C12 | C13 | C14 | C15 | 4.3° | 180.0° |
| C12 | C13 | H132 | H131 | 119.2° | 120.0° |
| C13 | C12 | C11 | H112 | 165.3° | 60.1° |
| C13 | C12 | C11 | H111 | 46.3° | 59.9° |
| C13 | C12 | H121 | H122 | 118.8° | 120.0° |
| C12 | C13 | C14 | H142 | 124.6° | 60.1° |
| C12 | C13 | C14 | H141 | 116.0° | 59.9° |
| C13 | C14 | C15 | H142 | 120.3° | 120.0° |
| C13 | C14 | C15 | H141 | 120.3° | 120.0° |
| C13 | C14 | C15 | C16 | 149.1° | 180.0° |
| C14 | C13 | H132 | H131 | 119.3° | 120.0° |
| C13 | C14 | C15 | H151 | 28.8° | 60.0° |
| C13 | C14 | C15 | H152 | 90.6° | 60.0° |
| C14 | C13 | C12 | H121 | 119.7° | 59.9° |
| C14 | C13 | C12 | H122 | 0.4° | 60.0° |
| C13 | C14 | H142 | H141 | 119.1° | 120.0° |
| C14 | C15 | C16 | H151 | 120.4° | 120.0° |
| C14 | C15 | C16 | H152 | 120.3° | 119.9° |
| C14 | C15 | C16 | C17 | 89.4° | 180.0° |
| C15 | C14 | C13 | H132 | 115.9° | 60.0° |
| C15 | C14 | C13 | H131 | 124.6° | 60.0° |
| C14 | C15 | H151 | H152 | 119.0° | 120.0° |
| C15 | C14 | H142 | H141 | 119.1° | 120.0° |
| C14 | C15 | C16 | H161 | 31.1° | 60.0° |
| C14 | C15 | C16 | H162 | 150.1° | 60.0° |
| C15 | C16 | C17 | H161 | 120.4° | 120.1° |
| C15 | C16 | C17 | H162 | 120.5° | 120.0° |
| C15 | C16 | C17 | C18 | 133.5° | 180.0° |
| C16 | C15 | H151 | H152 | 119.0° | 120.0° |
| C15 | C16 | C17 | H172 | 106.2° | 59.9° |
| C15 | C16 | C17 | H171 | 13.3° | 60.0° |
| C16 | C15 | C14 | H142 | 90.6° | 60.0° |
| C16 | C15 | C14 | H141 | 28.8° | 60.0° |
| C15 | C16 | H161 | H162 | 118.6° | 120.0° |
| C16 | C17 | C18 | H172 | 120.2° | 120.0° |
| C16 | C17 | C18 | H171 | 120.2° | 120.0° |
| C16 | C17 | C18 | O19 | 119.7° | 0.0° |
| C16 | C17 | C18 | O20 | 60.0° | 180.0° |
| C17 | C16 | C15 | H151 | 150.2° | 60.0° |
| C17 | C16 | C15 | H152 | 30.9° | 60.1° |
| C16 | C17 | H172 | H171 | 119.3° | 120.0° |
| C17 | C16 | H161 | H162 | 118.6° | 119.9° |
| C17 | C18 | O19 | O20 | 179.7° | 180.0° |
| C17 | C18 | O20 | C21 | 165.5° | 179.9° |
| C18 | C17 | H172 | H171 | 119.3° | 120.0° |
| C18 | C17 | C16 | H161 | 13.1° | 59.9° |
| C18 | C17 | C16 | H162 | 106.0° | 60.0° |
| O19 | C18 | O20 | C21 | 14.8° | 0.0° |
| O19 | C18 | C17 | H172 | 0.5° | 120.0° |
| O19 | C18 | C17 | H171 | 120.1° | 120.0° |
| C18 | O20 | C21 | C22 | 179.3° | 150.0° |
| C18 | O20 | C21 | C45 | 61.1° | 89.9° |
| O20 | C18 | C17 | H172 | 179.8° | 60.0° |
| O20 | C18 | C17 | H171 | 60.2° | 60.0° |
| C18 | O20 | C21 | H211 | 59.5° | 30.0° |
| O20 | C21 | C22 | O23 | 67.3° | 65.0° |
| O20 | C21 | C22 | C45 | 120.2° | 120.1° |
| O20 | C21 | C22 | H211 | 121.0° | 119.9° |
| O20 | C21 | C45 | H211 | 121.7° | 119.9° |
| O20 | C21 | C45 | O46 | 167.4° | 65.1° |
| O20 | C21 | C22 | H222 | 52.5° | 54.9° |
| O20 | C21 | C22 | H221 | 173.0° | 175.0° |
| O20 | C21 | C45 | H451 | 73.0° | 175.0° |
| O20 | C21 | C45 | H452 | 47.8° | 55.0° |
| C22 | O23 | C24 | O25 | 57.3° | 0.0° |
| C22 | O23 | C24 | C26 | 122.6° | 180.0° |
| O23 | C22 | C21 | H222 | 119.8° | 120.0° |
| O23 | C22 | C21 | H221 | 119.7° | 120.0° |
| O23 | C22 | C21 | C45 | 172.5° | 55.0° |
| O23 | C22 | C21 | H211 | 53.7° | 175.0° |
| O23 | C22 | H222 | H221 | 120.7° | 120.0° |
| O23 | C24 | O25 | C26 | 179.9° | 180.0° |
| O23 | C24 | C26 | C27 | 6.6° | 180.0° |
| C24 | O23 | C22 | C21 | 159.8° | 180.0° |
| C24 | O23 | C22 | H222 | 40.0° | 60.0° |
| C24 | O23 | C22 | H221 | 80.4° | 60.0° |
| O23 | C24 | C26 | H261 | 126.9° | 60.0° |
| O23 | C24 | C26 | H262 | 113.7° | 60.0° |
| O25 | C24 | C26 | C27 | 173.4° | 0.0° |
| O25 | C24 | C26 | H261 | 53.1° | 120.0° |
| O25 | C24 | C26 | H262 | 66.2° | 120.0° |
| C24 | C26 | C27 | H261 | 120.3° | 120.0° |
| C24 | C26 | C27 | H262 | 120.3° | 120.0° |
| C24 | C26 | C27 | C28 | 173.1° | 180.0° |
| C24 | C26 | H261 | H262 | 119.0° | 120.0° |
| C24 | C26 | C27 | H272 | 66.5° | 60.0° |
| C24 | C26 | C27 | H271 | 52.7° | 60.0° |
| C26 | C27 | C28 | H272 | 120.4° | 120.0° |
| C26 | C27 | C28 | H271 | 120.4° | 120.1° |
| C26 | C27 | C28 | C29 | 65.7° | 180.0° |
| C27 | C26 | H261 | H262 | 119.0° | 120.0° |
| C26 | C27 | C28 | H282 | 174.3° | 60.0° |
| C26 | C27 | C28 | H281 | 54.2° | 59.9° |
| C26 | C27 | H272 | H271 | 118.7° | 120.0° |
| C27 | C28 | C29 | H282 | 120.0° | 120.0° |
| C27 | C28 | C29 | H281 | 120.0° | 120.0° |
| C27 | C28 | C29 | C30 | 166.2° | 125.0° |
| C28 | C27 | C26 | H261 | 52.8° | 60.0° |
| C28 | C27 | C26 | H262 | 66.6° | 60.0° |
| C27 | C28 | H282 | H281 | 120.1° | 119.9° |
| C28 | C27 | H272 | H271 | 118.7° | 119.9° |
| C27 | C28 | C29 | H291 | 13.8° | 55.0° |
| C28 | C29 | C30 | H291 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 179.9° | 180.0° |
| C29 | C28 | H282 | H281 | 120.0° | 120.1° |
| C29 | C28 | C27 | H272 | 54.7° | 60.0° |
| C29 | C28 | C27 | H271 | 173.9° | 59.9° |
| C28 | C29 | C30 | H301 | 0.1° | 0.0° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 133.8° | 125.0° |
| C30 | C29 | C28 | H282 | 73.8° | 5.0° |
| C30 | C29 | C28 | H281 | 46.2° | 115.0° |
| C29 | C30 | C31 | H311 | 106.3° | 115.0° |
| C29 | C30 | C31 | H312 | 13.9° | 5.0° |
| C30 | C31 | C32 | H311 | 119.9° | 120.0° |
| C30 | C31 | C32 | H312 | 119.9° | 120.0° |
| C30 | C31 | C32 | C33 | 175.3° | 125.0° |
| C31 | C30 | C29 | H291 | 0.1° | 0.0° |
| C30 | C31 | H311 | H312 | 120.3° | 120.0° |
| C30 | C31 | C32 | H321 | 4.8° | 55.0° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 179.8° | 180.0° |
| C32 | C31 | C30 | H301 | 46.2° | 55.0° |
| C32 | C31 | H311 | H312 | 120.3° | 120.0° |
| C31 | C32 | C33 | H331 | 0.2° | 0.1° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 170.2° | 125.0° |
| C33 | C32 | C31 | H311 | 55.4° | 5.1° |
| C33 | C32 | C31 | H312 | 64.9° | 115.0° |
| C32 | C33 | C34 | H342 | 69.7° | 115.0° |
| C32 | C33 | C34 | H341 | 50.2° | 5.0° |
| C33 | C34 | C35 | H342 | 120.0° | 120.0° |
| C33 | C34 | C35 | H341 | 120.0° | 120.0° |
| C33 | C34 | C35 | C36 | 124.2° | 125.0° |
| C34 | C33 | C32 | H321 | 0.2° | 0.1° |
| C33 | C34 | H342 | H341 | 120.0° | 120.0° |
| C33 | C34 | C35 | H351 | 55.8° | 55.0° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 179.9° | 180.0° |
| C35 | C34 | C33 | H331 | 9.8° | 55.0° |
| C35 | C34 | H342 | H341 | 119.9° | 119.9° |
| C34 | C35 | C36 | H361 | 0.1° | 0.0° |
| C35 | C36 | C37 | H361 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 170.2° | 125.0° |
| C36 | C35 | C34 | H342 | 4.2° | 4.9° |
| C36 | C35 | C34 | H341 | 115.8° | 115.0° |
| C35 | C36 | C37 | H372 | 69.8° | 115.0° |
| C35 | C36 | C37 | H371 | 50.3° | 4.9° |
| C36 | C37 | C38 | H372 | 120.0° | 119.9° |
| C36 | C37 | C38 | H371 | 120.0° | 120.0° |
| C36 | C37 | C38 | C39 | 147.1° | 125.0° |
| C37 | C36 | C35 | H351 | 0.1° | 0.0° |
| C36 | C37 | H372 | H371 | 120.1° | 120.0° |
| C36 | C37 | C38 | H381 | 32.8° | 55.0° |
| C37 | C38 | C39 | H381 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 179.9° | 180.0° |
| C38 | C37 | C36 | H361 | 9.8° | 55.0° |
| C38 | C37 | H372 | H371 | 120.1° | 120.1° |
| C37 | C38 | C39 | H391 | 0.1° | 0.0° |
| C38 | C39 | C40 | H391 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 127.7° | 125.0° |
| C39 | C38 | C37 | H372 | 27.2° | 5.1° |
| C39 | C38 | C37 | H371 | 92.9° | 115.0° |
| C38 | C39 | C40 | H401 | 7.8° | 115.0° |
| C38 | C39 | C40 | H402 | 112.4° | 5.0° |
| C39 | C40 | C41 | H401 | 119.9° | 120.0° |
| C39 | C40 | C41 | H402 | 119.9° | 120.0° |
| C39 | C40 | C41 | C42 | 81.9° | 180.0° |
| C40 | C39 | C38 | H381 | 0.0° | 0.0° |
| C39 | C40 | H401 | H402 | 120.3° | 120.0° |
| C39 | C40 | C41 | H411 | 38.5° | 60.0° |
| C39 | C40 | C41 | H412 | 157.7° | 60.0° |
| C40 | C41 | C42 | H411 | 120.4° | 120.0° |
| C40 | C41 | C42 | H412 | 120.4° | 120.0° |
| C40 | C41 | C42 | C43 | 163.6° | 180.0° |
| C41 | C40 | C39 | H391 | 52.3° | 55.0° |
| C41 | C40 | H401 | H402 | 120.2° | 119.9° |
| C40 | C41 | H411 | H412 | 118.7° | 119.9° |
| C40 | C41 | C42 | H422 | 76.0° | 60.0° |
| C40 | C41 | C42 | H421 | 43.2° | 60.0° |
| C41 | C42 | C43 | H422 | 120.4° | 119.9° |
| C41 | C42 | C43 | H421 | 120.4° | 120.0° |
| C41 | C42 | C43 | C44 | 154.9° | 180.0° |
| C42 | C41 | C40 | H401 | 158.2° | 60.0° |
| C42 | C41 | C40 | H402 | 38.0° | 60.0° |
| C42 | C41 | H411 | H412 | 118.8° | 120.1° |
| C41 | C42 | H422 | H421 | 118.8° | 120.1° |
| C41 | C42 | C43 | H431 | 34.5° | 60.0° |
| C41 | C42 | C43 | H432 | 84.7° | 60.0° |
| C42 | C43 | C44 | H431 | 120.4° | 120.0° |
| C42 | C43 | C44 | H432 | 120.4° | 120.0° |
| C43 | C42 | C41 | H411 | 43.2° | 60.0° |
| C43 | C42 | C41 | H412 | 76.0° | 60.0° |
| C43 | C42 | H422 | H421 | 118.7° | 120.0° |
| C42 | C43 | H431 | H432 | 118.8° | 120.0° |
| C42 | C43 | C44 | H441 | 180.0° | 180.0° |
| C42 | C43 | C44 | H442 | 60.0° | 60.0° |
| C42 | C43 | C44 | H443 | 60.0° | 60.0° |
| C44 | C43 | C42 | H422 | 84.7° | 60.0° |
| C44 | C43 | C42 | H421 | 34.5° | 60.0° |
| C44 | C43 | H431 | H432 | 118.7° | 120.0° |
| C43 | C44 | H441 | H442 | 120.0° | 120.0° |
| C43 | C44 | H441 | H443 | 120.0° | 120.0° |
| C43 | C44 | H442 | H443 | 120.0° | 120.0° |
| C22 | C21 | C45 | H211 | 118.7° | 120.0° |
| C22 | C21 | C45 | O46 | 47.8° | 55.0° |
| C21 | C22 | H222 | H221 | 120.7° | 120.1° |
| C22 | C21 | C45 | H451 | 167.4° | 64.9° |
| C22 | C21 | C45 | H452 | 71.8° | 175.0° |
| C21 | C45 | O46 | H451 | 119.6° | 119.9° |
| C21 | C45 | O46 | H452 | 119.6° | 120.0° |
| C21 | C45 | O46 | P47 | 166.3° | 180.0° |
| C45 | C21 | C22 | H222 | 67.7° | 175.0° |
| C45 | C21 | C22 | H221 | 52.8° | 65.0° |
| C21 | C45 | H451 | H452 | 121.1° | 120.0° |
| C45 | O46 | P47 | O48 | 67.7° | 65.0° |
| C45 | O46 | P47 | O49 | 53.3° | 55.1° |
| C45 | O46 | P47 | O50 | 173.3° | 175.0° |
| O46 | C45 | C21 | H211 | 70.9° | 175.0° |
| O46 | C45 | H451 | H452 | 121.1° | 120.1° |
| O46 | P47 | O48 | O49 | 121.1° | 120.1° |
| O46 | P47 | O48 | O50 | 118.2° | 120.0° |
| O46 | P47 | O49 | O50 | 118.8° | 120.0° |
| O46 | P47 | O50 | C51 | 27.7° | 175.0° |
| P47 | O46 | C45 | H451 | 46.7° | 60.1° |
| P47 | O46 | C45 | H452 | 74.1° | 60.0° |
| O46 | P47 | O48 | H1 | 121.1° | 59.9° |
| O48 | P47 | O49 | O50 | 120.4° | 119.9° |
| O48 | P47 | O50 | C51 | 146.9° | 65.0° |
| O49 | P47 | O50 | C51 | 92.4° | 55.0° |
| O49 | P47 | O48 | H1 | 0.0° | 180.0° |
| P47 | O50 | C51 | C52 | 178.5° | 120.0° |
| P47 | O50 | C51 | C56 | 52.0° | 120.0° |
| P47 | O50 | C51 | H511 | 64.7° | 0.0° |
| O50 | P47 | O48 | H1 | 120.7° | 60.1° |
| O50 | C51 | C52 | C56 | 120.8° | 120.0° |
| O50 | C51 | C52 | H511 | 117.9° | 120.0° |
| O50 | C51 | C56 | O57 | 85.9° | 60.0° |
| O50 | C51 | C56 | C55 | 152.6° | 180.0° |
| O50 | C51 | C52 | C53 | 122.6° | 180.0° |
| O50 | C51 | C52 | O69 | 117.2° | 60.0° |
| O50 | C51 | C56 | H511 | 117.8° | 120.0° |
| O50 | C51 | C52 | H521 | 2.2° | 60.0° |
| O50 | C51 | C56 | H561 | 31.8° | 59.9° |
| C52 | C51 | C56 | O57 | 153.3° | 180.0° |
| C52 | C51 | C56 | C55 | 31.9° | 60.0° |
| C51 | C52 | C53 | C54 | 49.1° | 60.0° |
| C51 | C52 | C53 | O64 | 70.0° | 180.0° |
| C51 | C52 | C53 | O69 | 120.3° | 120.0° |
| C51 | C52 | C53 | H521 | 120.3° | 120.0° |
| C51 | C52 | O69 | H521 | 118.3° | 120.0° |
| C52 | C51 | C56 | H511 | 121.4° | 120.0° |
| C51 | C52 | C53 | H531 | 168.5° | 60.0° |
| C52 | C51 | C56 | H561 | 89.0° | 60.0° |
| C51 | C52 | O69 | H691 | 180.0° | 60.0° |
| O57 | C56 | C55 | C51 | 121.6° | 120.0° |
| O57 | C56 | C55 | H561 | 117.5° | 120.0° |
| O57 | C56 | C55 | O58 | 0.4° | 60.0° |
| O57 | C56 | C55 | C54 | 131.0° | 180.0° |
| O57 | C56 | C51 | H561 | 117.7° | 119.9° |
| O57 | C56 | C51 | H511 | 31.9° | 60.0° |
| O57 | C56 | C55 | H551 | 114.3° | 60.0° |
| C56 | C55 | O58 | C54 | 131.1° | 120.0° |
| C56 | C55 | O58 | H551 | 113.8° | 120.0° |
| C56 | C55 | C54 | H551 | 114.7° | 120.0° |
| C56 | C55 | C54 | O59 | 79.3° | 180.0° |
| C56 | C55 | C54 | C53 | 40.4° | 60.0° |
| C55 | C56 | C51 | H561 | 120.9° | 120.1° |
| C55 | C56 | C51 | H511 | 89.6° | 60.0° |
| C56 | C55 | C54 | H541 | 157.6° | 60.0° |
| C55 | C56 | O57 | H571 | 180.0° | 60.0° |
| C56 | C55 | O58 | H581 | 102.4° | 60.0° |
| O58 | C55 | C54 | H551 | 115.8° | 120.0° |
| O58 | C55 | C54 | O59 | 50.2° | 60.0° |
| O58 | C55 | C54 | C53 | 169.9° | 60.0° |
| O58 | C55 | C56 | C51 | 121.2° | 60.0° |
| O58 | C55 | C54 | H541 | 72.9° | 180.0° |
| O58 | C55 | C56 | H561 | 117.9° | 180.0° |
| C55 | C54 | O59 | C53 | 120.4° | 120.0° |
| C55 | C54 | O59 | H541 | 122.3° | 120.0° |
| C55 | C54 | O59 | P60 | 13.1° | 120.0° |
| C55 | C54 | C53 | H541 | 117.2° | 120.0° |
| C55 | C54 | C53 | O64 | 47.2° | 180.0° |
| C55 | C54 | C53 | C52 | 71.5° | 60.0° |
| C54 | C55 | C56 | C51 | 9.4° | 60.0° |
| C55 | C54 | C53 | H531 | 169.0° | 59.9° |
| C54 | C55 | C56 | H561 | 111.5° | 60.0° |
| C54 | C55 | O58 | H581 | 28.7° | 180.0° |
| C54 | O59 | P60 | O61 | 66.5° | 65.0° |
| C54 | O59 | P60 | O62 | 54.0° | 55.1° |
| C54 | O59 | P60 | O63 | 173.7° | 175.0° |
| O59 | C54 | C53 | H541 | 118.4° | 120.0° |
| O59 | C54 | C53 | O64 | 171.5° | 60.0° |
| O59 | C54 | C53 | C52 | 52.9° | 180.0° |
| O59 | C54 | C53 | H531 | 66.7° | 60.1° |
| O59 | C54 | C55 | H551 | 166.0° | 60.1° |
| O59 | P60 | O61 | O62 | 120.4° | 120.1° |
| O59 | P60 | O61 | O63 | 119.9° | 120.0° |
| O59 | P60 | O62 | O63 | 119.7° | 120.0° |
| P60 | O59 | C54 | C53 | 133.5° | 120.0° |
| P60 | O59 | C54 | H541 | 109.1° | 0.0° |
| O59 | P60 | O61 | H2 | 120.4° | 60.0° |
| O59 | P60 | O63 | H3 | 119.8° | 180.0° |
| O61 | P60 | O62 | O63 | 119.6° | 120.0° |
| O61 | P60 | O63 | H3 | 119.9° | 60.0° |
| O62 | P60 | O61 | H2 | 0.0° | 180.0° |
| O62 | P60 | O63 | H3 | 0.0° | 60.0° |
| O63 | P60 | O61 | H2 | 119.7° | 60.0° |
| C54 | C53 | O64 | C52 | 119.0° | 120.0° |
| C54 | C53 | O64 | H531 | 120.6° | 120.0° |
| C54 | C53 | O64 | P65 | 159.7° | 120.0° |
| C54 | C53 | C52 | H531 | 119.5° | 120.0° |
| C54 | C53 | C52 | O69 | 71.2° | 180.0° |
| C54 | C53 | C52 | H521 | 169.3° | 60.0° |
| C53 | C54 | C55 | H551 | 74.3° | 180.0° |
| C53 | O64 | P65 | O66 | 13.7° | 55.1° |
| C53 | O64 | P65 | O67 | 133.7° | 65.0° |
| C53 | O64 | P65 | O68 | 106.2° | 175.0° |
| O64 | C53 | C52 | H531 | 121.5° | 120.0° |
| O64 | C53 | C52 | O69 | 169.7° | 60.0° |
| O64 | C53 | C52 | H521 | 50.2° | 60.0° |
| O64 | C53 | C54 | H541 | 70.0° | 60.0° |
| O64 | P65 | O66 | O67 | 120.1° | 120.1° |
| O64 | P65 | O66 | O68 | 119.9° | 120.0° |
| O64 | P65 | O67 | O68 | 119.9° | 119.9° |
| P65 | O64 | C53 | C52 | 81.2° | 120.0° |
| P65 | O64 | C53 | H531 | 39.1° | 0.0° |
| O64 | P65 | O67 | H4 | 120.1° | 59.9° |
| O64 | P65 | O68 | H5 | 120.0° | 180.0° |
| O66 | P65 | O67 | O68 | 120.0° | 120.0° |
| O66 | P65 | O67 | H4 | 0.0° | 180.0° |
| O66 | P65 | O68 | H5 | 0.0° | 60.0° |
| O67 | P65 | O68 | H5 | 120.0° | 60.0° |
| O68 | P65 | O67 | H4 | 120.0° | 60.0° |
| C53 | C52 | O69 | H521 | 118.4° | 120.0° |
| C53 | C52 | C51 | C56 | 1.8° | 60.0° |
| C53 | C52 | C51 | H511 | 119.5° | 60.0° |
| C52 | C53 | C54 | H541 | 171.3° | 60.0° |
| C53 | C52 | O69 | H691 | 56.7° | 180.0° |
| O69 | C52 | C51 | C56 | 122.0° | 180.0° |
| O69 | C52 | C51 | H511 | 0.7° | 60.0° |
| O69 | C52 | C53 | H531 | 48.3° | 60.0° |
| C56 | C51 | C52 | H521 | 118.5° | 60.0° |
| C51 | C56 | C55 | H551 | 124.1° | 180.0° |
| C51 | C56 | O57 | H571 | 53.0° | 180.0° |
| H102 | C10 | C09 | H091 | 96.6° | 59.9° |
| H102 | C10 | C09 | H092 | 144.3° | 180.0° |
| H102 | C10 | C11 | H112 | 79.5° | 180.0° |
| H102 | C10 | C11 | H111 | 39.6° | 60.0° |
| H101 | C10 | C09 | H091 | 22.9° | 180.0° |
| H101 | C10 | C09 | H092 | 96.2° | 60.0° |
| H101 | C10 | C11 | H112 | 161.0° | 60.0° |
| H101 | C10 | C11 | H111 | 79.9° | 180.0° |
| H132 | C13 | C12 | H121 | 120.1° | 60.0° |
| H132 | C13 | C12 | H122 | 120.7° | 180.0° |
| H132 | C13 | C14 | H142 | 4.4° | 180.0° |
| H132 | C13 | C14 | H141 | 123.8° | 60.1° |
| H131 | C13 | C12 | H121 | 0.6° | 180.0° |
| H131 | C13 | C12 | H122 | 119.8° | 60.0° |
| H131 | C13 | C14 | H142 | 115.1° | 60.0° |
| H131 | C13 | C14 | H141 | 4.3° | 180.0° |
| H151 | C15 | C14 | H142 | 149.1° | 180.0° |
| H151 | C15 | C14 | H141 | 91.5° | 60.0° |
| H151 | C15 | C16 | H161 | 89.3° | 180.0° |
| H151 | C15 | C16 | H162 | 29.8° | 60.0° |
| H152 | C15 | C14 | H142 | 29.8° | 60.0° |
| H152 | C15 | C14 | H141 | 149.2° | 180.0° |
| H152 | C15 | C16 | H161 | 151.4° | 60.0° |
| H152 | C15 | C16 | H162 | 89.5° | 180.0° |
| H172 | C17 | C16 | H161 | 133.3° | NaN° |
| H172 | C17 | C16 | H162 | 14.2° | 60.1° |
| H171 | C17 | C16 | H161 | 107.1° | 60.0° |
| H171 | C17 | C16 | H162 | 133.8° | 180.0° |
| H211 | C21 | C22 | H222 | 173.5° | 65.0° |
| H211 | C21 | C22 | H221 | 66.0° | 55.1° |
| H211 | C21 | C45 | H451 | 48.7° | 55.1° |
| H211 | C21 | C45 | H452 | 169.5° | 64.9° |
| H261 | C26 | C27 | H272 | 173.2° | 180.0° |
| H261 | C26 | C27 | H271 | 67.7° | 60.0° |
| H262 | C26 | C27 | H272 | 53.9° | 60.0° |
| H262 | C26 | C27 | H271 | 173.0° | 180.0° |
| H282 | C28 | C27 | H272 | 65.3° | 180.0° |
| H282 | C28 | C27 | H271 | 53.9° | 60.1° |
| H282 | C28 | C29 | H291 | 106.2° | 175.0° |
| H281 | C28 | C27 | H272 | 174.7° | 60.1° |
| H281 | C28 | C27 | H271 | 66.2° | 180.0° |
| H281 | C28 | C29 | H291 | 133.8° | 65.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H022 | 59.6° | 60.1° |
| H011 | C01 | C02 | H021 | 59.6° | 60.0° |
| H013 | C01 | C02 | H022 | 60.4° | 59.9° |
| H013 | C01 | C02 | H021 | 179.6° | 180.0° |
| H012 | C01 | C02 | H022 | 179.6° | 180.0° |
| H012 | C01 | C02 | H021 | 60.4° | 59.9° |
| H022 | C02 | C03 | H032 | 8.6° | 180.0° |
| H022 | C02 | C03 | H031 | 110.7° | 60.0° |
| H021 | C02 | C03 | H032 | 127.7° | 60.0° |
| H021 | C02 | C03 | H031 | 8.5° | 180.0° |
| H032 | C03 | C04 | H042 | 151.8° | 179.9° |
| H032 | C03 | C04 | H041 | 32.7° | 60.0° |
| H031 | C03 | C04 | H042 | 88.9° | 60.1° |
| H031 | C03 | C04 | H041 | 151.9° | 180.0° |
| H042 | C04 | C05 | H052 | 27.8° | 180.0° |
| H042 | C04 | C05 | H051 | 91.3° | 60.0° |
| H041 | C04 | C05 | H052 | 147.0° | 60.0° |
| H041 | C04 | C05 | H051 | 27.9° | 180.0° |
| H052 | C05 | C06 | H062 | 124.0° | 180.0° |
| H052 | C05 | C06 | H061 | 4.5° | 60.0° |
| H051 | C05 | C06 | H062 | 116.9° | 60.0° |
| H051 | C05 | C06 | H061 | 123.5° | 180.0° |
| H062 | C06 | C07 | H072 | 21.5° | 180.0° |
| H062 | C06 | C07 | H071 | 98.1° | 60.0° |
| H061 | C06 | C07 | H072 | 141.0° | 59.9° |
| H061 | C06 | C07 | H071 | 21.5° | 179.9° |
| H072 | C07 | C08 | H081 | 138.1° | 180.0° |
| H072 | C07 | C08 | H082 | 19.0° | 60.0° |
| H071 | C07 | C08 | H081 | 102.4° | 60.0° |
| H071 | C07 | C08 | H082 | 138.5° | 180.0° |
| H081 | C08 | C09 | H091 | 2.1° | 60.1° |
| H081 | C08 | C09 | H092 | 121.2° | 180.0° |
| H082 | C08 | C09 | H091 | 117.0° | 180.0° |
| H082 | C08 | C09 | H092 | 2.1° | 60.1° |
| H112 | C11 | C12 | H121 | 74.3° | 60.0° |
| H112 | C11 | C12 | H122 | 44.9° | 179.9° |
| H111 | C11 | C12 | H121 | 166.7° | 180.0° |
| H111 | C11 | C12 | H122 | 74.1° | 60.1° |
| H291 | C29 | C30 | H301 | 179.9° | 179.9° |
| H301 | C30 | C31 | H311 | 73.7° | 64.9° |
| H301 | C30 | C31 | H312 | 166.1° | 175.0° |
| H311 | C31 | C32 | H321 | 124.7° | 175.0° |
| H312 | C31 | C32 | H321 | 115.1° | 64.9° |
| H321 | C32 | C33 | H331 | 179.8° | 180.0° |
| H331 | C33 | C34 | H342 | 110.3° | 65.0° |
| H331 | C33 | C34 | H341 | 129.8° | 175.0° |
| H342 | C34 | C35 | H351 | 175.8° | 175.0° |
| H341 | C34 | C35 | H351 | 64.2° | 65.0° |
| H351 | C35 | C36 | H361 | 179.9° | 180.0° |
| H361 | C36 | C37 | H372 | 110.2° | 65.0° |
| H361 | C36 | C37 | H371 | 129.7° | 175.1° |
| H372 | C37 | C38 | H381 | 152.8° | 175.0° |
| H371 | C37 | C38 | H381 | 87.1° | 65.0° |
| H381 | C38 | C39 | H391 | 180.0° | 180.0° |
| H391 | C39 | C40 | H401 | 172.2° | 65.0° |
| H391 | C39 | C40 | H402 | 67.6° | 175.0° |
| H401 | C40 | C41 | H411 | 81.4° | 180.0° |
| H401 | C40 | C41 | H412 | 37.7° | 60.1° |
| H402 | C40 | C41 | H411 | 158.4° | 60.0° |
| H402 | C40 | C41 | H412 | 82.4° | 180.0° |
| H411 | C41 | C42 | H422 | 163.6° | 180.0° |
| H411 | C41 | C42 | H421 | 77.2° | 60.0° |
| H412 | C41 | C42 | H422 | 44.4° | 59.9° |
| H412 | C41 | C42 | H421 | 163.6° | 180.0° |
| H422 | C42 | C43 | H431 | 154.9° | 179.9° |
| H422 | C42 | C43 | H432 | 35.7° | 59.9° |
| H421 | C42 | C43 | H431 | 85.9° | 60.0° |
| H421 | C42 | C43 | H432 | 154.9° | 180.0° |
| H431 | C43 | C44 | H441 | 59.6° | 60.0° |
| H431 | C43 | C44 | H442 | 179.6° | 180.0° |
| H431 | C43 | C44 | H443 | 60.4° | 60.0° |
| H432 | C43 | C44 | H441 | 59.6° | 60.0° |
| H432 | C43 | C44 | H442 | 60.4° | 60.0° |
| H432 | C43 | C44 | H443 | 179.6° | 179.9° |
| H441 | C44 | H442 | H443 | 120.0° | 120.0° |
| H511 | C51 | C52 | H521 | 120.1° | 179.9° |
| H511 | C51 | C56 | H561 | 149.6° | 179.9° |
| H521 | C52 | C53 | H531 | 71.2° | 180.0° |
| H521 | C52 | O69 | H691 | 61.7° | 59.9° |
| H531 | C53 | C54 | H541 | 51.8° | 180.0° |
| H541 | C54 | C55 | H551 | 42.9° | 60.0° |
| H551 | C55 | C56 | H561 | 3.2° | 60.0° |
| H551 | C55 | O58 | H581 | 143.8° | 60.0° |
| H561 | C56 | O57 | H571 | 63.6° | 60.0° |
