DSL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | sing | 1.51Å | 1.50Å | |
| C07 | C08 | sing | 1.51Å | 1.50Å | |
| C07 | C09 | doub | 1.31Å | 1.34Å | |
| C09 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C14 | doub | 1.31Å | 1.34Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | C19 | doub | 1.31Å | 1.33Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C22 | C24 | doub | 1.31Å | 1.34Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C27 | C29 | doub | 1.31Å | 1.34Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C32 | C34 | doub | 1.31Å | 1.34Å | |
| C34 | C35 | sing | 1.51Å | 1.50Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.51Å | 1.50Å | |
| C37 | C38 | sing | 1.51Å | 1.50Å | |
| C37 | C39 | doub | 1.31Å | 1.35Å | |
| C39 | C40 | sing | 1.51Å | 1.50Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.51Å | 1.50Å | |
| C42 | C43 | sing | 1.51Å | 1.50Å | |
| C42 | C44 | doub | 1.31Å | 1.34Å | |
| C44 | C45 | sing | 1.51Å | 1.51Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C46 | C47 | sing | 1.51Å | 1.51Å | |
| C47 | C48 | sing | 1.51Å | 1.49Å | |
| C47 | C49 | doub | 1.31Å | 1.33Å | |
| C49 | C50 | sing | 1.51Å | 1.50Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C51 | C52 | sing | 1.51Å | 1.51Å | |
| C52 | C53 | sing | 1.51Å | 1.50Å | |
| C52 | C54 | doub | 1.31Å | 1.33Å | |
| C54 | C55 | sing | 1.51Å | 1.51Å | |
| C55 | O56 | sing | 1.43Å | 1.43Å | |
| O56 | P57 | sing | 1.61Å | 1.61Å | |
| P57 | O58 | doub | 1.48Å | 1.52Å | |
| P57 | O59 | sing | 1.61Å | 1.51Å | |
| P57 | O60 | sing | 1.61Å | 1.51Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | 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 | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | 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 | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H533 | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| O60 | H60 | sing | 0.97Å | 0.95Å | |
| O59 | H59 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 120.8° | 120.0° |
| C06 | C07 | C09 | 119.6° | 120.0° |
| C07 | C06 | H061 | 109.5° | 109.4° |
| C07 | C06 | H062 | 109.5° | 109.4° |
| C07 | C06 | H063 | 109.5° | 109.4° |
| C08 | C07 | C09 | 119.5° | 120.0° |
| C07 | C08 | H081 | 109.5° | 109.4° |
| C07 | C08 | H082 | 109.5° | 109.5° |
| C07 | C08 | H083 | 109.4° | 109.5° |
| C07 | C09 | C10 | 120.2° | 120.0° |
| C07 | C09 | H09 | 119.9° | 120.0° |
| C09 | C10 | C11 | 110.1° | 109.5° |
| C10 | C09 | H09 | 119.9° | 120.0° |
| C09 | C10 | H101 | 109.3° | 109.5° |
| C09 | C10 | H102 | 109.1° | 109.4° |
| C10 | C11 | C12 | 112.8° | 109.5° |
| C11 | C10 | H101 | 109.2° | 109.5° |
| C11 | C10 | H102 | 109.1° | 109.5° |
| C10 | C11 | H111 | 108.4° | 109.5° |
| C10 | C11 | H112 | 107.6° | 109.5° |
| C11 | C12 | C13 | 120.3° | 120.0° |
| C11 | C12 | C14 | 121.3° | 120.0° |
| C12 | C11 | H111 | 108.4° | 109.5° |
| C12 | C11 | H112 | 107.6° | 109.4° |
| C13 | C12 | C14 | 118.3° | 120.0° |
| C12 | C13 | H131 | 109.5° | 109.4° |
| C12 | C13 | H132 | 109.5° | 109.4° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C14 | C15 | 117.3° | 120.0° |
| C12 | C14 | H14 | 121.3° | 120.0° |
| C14 | C15 | C16 | 111.5° | 109.5° |
| C15 | C14 | H14 | 121.3° | 120.0° |
| C14 | C15 | H151 | 108.8° | 109.5° |
| C14 | C15 | H152 | 108.3° | 109.5° |
| C15 | C16 | C17 | 106.5° | 109.5° |
| C16 | C15 | H151 | 108.8° | 109.5° |
| C16 | C15 | H152 | 108.3° | 109.4° |
| C15 | C16 | H161 | 110.4° | 109.5° |
| C15 | C16 | H162 | 111.1° | 109.5° |
| C16 | C17 | C18 | 119.2° | 120.0° |
| C16 | C17 | C19 | 121.6° | 120.0° |
| C17 | C16 | H161 | 110.5° | 109.5° |
| C17 | C16 | H162 | 111.1° | 109.5° |
| C18 | C17 | C19 | 119.2° | 120.0° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.4° |
| C17 | C19 | C20 | 121.2° | 120.0° |
| C17 | C19 | H19 | 119.4° | 120.0° |
| C19 | C20 | C21 | 107.1° | 109.5° |
| C20 | C19 | H19 | 119.4° | 120.0° |
| C19 | C20 | H201 | 110.3° | 109.5° |
| C19 | C20 | H202 | 110.8° | 109.5° |
| C20 | C21 | C22 | 107.6° | 109.4° |
| C21 | C20 | H201 | 110.3° | 109.5° |
| C21 | C20 | H202 | 110.8° | 109.5° |
| C20 | C21 | H211 | 110.1° | 109.5° |
| C20 | C21 | H212 | 110.5° | 109.5° |
| C21 | C22 | C23 | 119.8° | 120.0° |
| C21 | C22 | C24 | 118.4° | 120.0° |
| C22 | C21 | H211 | 110.1° | 109.4° |
| C22 | C21 | H212 | 110.5° | 109.5° |
| C23 | C22 | C24 | 121.8° | 120.0° |
| C22 | C23 | H231 | 109.5° | 109.4° |
| C22 | C23 | H232 | 109.5° | 109.4° |
| C22 | C23 | H233 | 109.4° | 109.4° |
| C22 | C24 | C25 | 118.0° | 120.0° |
| C22 | C24 | H24 | 121.0° | 120.0° |
| C24 | C25 | C26 | 109.9° | 109.4° |
| C25 | C24 | H24 | 121.0° | 120.0° |
| C24 | C25 | H251 | 109.3° | 109.4° |
| C24 | C25 | H252 | 109.2° | 109.5° |
| C25 | C26 | C27 | 107.8° | 109.4° |
| C26 | C25 | H251 | 109.3° | 109.5° |
| C26 | C25 | H252 | 109.2° | 109.5° |
| C25 | C26 | H261 | 110.0° | 109.5° |
| C25 | C26 | H262 | 110.4° | 109.5° |
| C26 | C27 | C28 | 119.0° | 120.0° |
| C26 | C27 | C29 | 120.9° | 120.0° |
| C27 | C26 | H261 | 110.0° | 109.5° |
| C27 | C26 | H262 | 110.4° | 109.4° |
| C28 | C27 | C29 | 120.1° | 120.0° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.4° | 109.5° |
| C27 | C29 | C30 | 119.1° | 120.0° |
| C27 | C29 | H29 | 120.4° | 119.9° |
| C29 | C30 | C31 | 111.6° | 109.5° |
| C30 | C29 | H29 | 120.5° | 120.0° |
| C29 | C30 | H301 | 108.8° | 109.5° |
| C29 | C30 | H302 | 108.3° | 109.4° |
| C30 | C31 | C32 | 105.6° | 109.4° |
| C31 | C30 | H301 | 108.8° | 109.5° |
| C31 | C30 | H302 | 108.3° | 109.4° |
| C30 | C31 | H311 | 110.8° | 109.5° |
| C30 | C31 | H312 | 111.7° | 109.4° |
| C31 | C32 | C33 | 118.9° | 120.0° |
| C31 | C32 | C34 | 123.1° | 120.0° |
| C32 | C31 | H311 | 110.8° | 109.5° |
| C32 | C31 | H312 | 111.6° | 109.4° |
| C33 | C32 | C34 | 118.0° | 120.0° |
| C32 | C33 | H331 | 109.5° | 109.4° |
| C32 | C33 | H332 | 109.4° | 109.5° |
| C32 | C33 | H333 | 109.5° | 109.4° |
| C32 | C34 | C35 | 122.7° | 120.0° |
| C32 | C34 | H34 | 118.6° | 120.0° |
| C34 | C35 | C36 | 107.1° | 109.4° |
| C35 | C34 | H34 | 118.6° | 120.0° |
| C34 | C35 | H351 | 110.2° | 109.5° |
| C34 | C35 | H352 | 110.7° | 109.5° |
| C35 | C36 | C37 | 109.3° | 109.4° |
| C36 | C35 | H351 | 110.3° | 109.5° |
| C36 | C35 | H352 | 110.8° | 109.4° |
| C35 | C36 | H361 | 109.5° | 109.5° |
| C35 | C36 | H362 | 109.6° | 109.4° |
| C36 | C37 | C38 | 119.9° | 120.0° |
| C36 | C37 | C39 | 121.1° | 120.0° |
| C37 | C36 | H361 | 109.5° | 109.5° |
| C37 | C36 | H362 | 109.6° | 109.5° |
| C38 | C37 | C39 | 119.0° | 120.0° |
| C37 | C38 | H381 | 109.5° | 109.5° |
| C37 | C38 | H382 | 109.5° | 109.5° |
| C37 | C38 | H383 | 109.4° | 109.4° |
| C37 | C39 | C40 | 123.7° | 120.0° |
| C37 | C39 | H39 | 118.1° | 120.0° |
| C39 | C40 | C41 | 107.9° | 109.5° |
| C40 | C39 | H39 | 118.2° | 120.0° |
| C39 | C40 | H401 | 110.0° | 109.5° |
| C39 | C40 | H402 | 110.3° | 109.5° |
| C40 | C41 | C42 | 111.7° | 109.5° |
| C41 | C40 | H401 | 110.0° | 109.4° |
| C41 | C40 | H402 | 110.4° | 109.5° |
| C40 | C41 | H411 | 108.7° | 109.4° |
| C40 | C41 | H412 | 108.2° | 109.5° |
| C41 | C42 | C43 | 121.2° | 120.0° |
| C41 | C42 | C44 | 121.0° | 120.0° |
| C42 | C41 | H411 | 108.7° | 109.5° |
| C42 | C41 | H412 | 108.2° | 109.5° |
| C43 | C42 | C44 | 117.8° | 120.0° |
| C42 | C43 | H431 | 109.5° | 109.4° |
| C42 | C43 | H432 | 109.5° | 109.4° |
| C42 | C43 | H433 | 109.5° | 109.4° |
| C42 | C44 | C45 | 124.7° | 120.0° |
| C42 | C44 | H44 | 117.6° | 120.0° |
| C44 | C45 | C46 | 105.1° | 109.5° |
| C45 | C44 | H44 | 117.7° | 120.0° |
| C44 | C45 | H451 | 110.9° | 109.5° |
| C44 | C45 | H452 | 111.9° | 109.4° |
| C45 | C46 | C47 | 111.8° | 109.5° |
| C46 | C45 | H451 | 110.9° | 109.5° |
| C46 | C45 | H452 | 111.9° | 109.4° |
| C45 | C46 | H461 | 108.7° | 109.5° |
| C45 | C46 | H462 | 108.2° | 109.5° |
| C46 | C47 | C48 | 120.6° | 120.0° |
| C46 | C47 | C49 | 122.2° | 120.0° |
| C47 | C46 | H461 | 108.7° | 109.5° |
| C47 | C46 | H462 | 108.2° | 109.5° |
| C48 | C47 | C49 | 117.2° | 120.0° |
| C47 | C48 | H481 | 109.5° | 109.5° |
| C47 | C48 | H482 | 109.5° | 109.4° |
| C47 | C48 | H483 | 109.4° | 109.5° |
| C47 | C49 | C50 | 122.6° | 120.0° |
| C47 | C49 | H49 | 118.7° | 120.1° |
| C49 | C50 | C51 | 106.9° | 109.5° |
| C50 | C49 | H49 | 118.7° | 120.0° |
| C49 | C50 | H501 | 110.3° | 109.5° |
| C49 | C50 | H502 | 110.9° | 109.5° |
| C50 | C51 | C52 | 109.1° | 109.5° |
| C51 | C50 | H501 | 110.3° | 109.4° |
| C51 | C50 | H502 | 110.9° | 109.5° |
| C50 | C51 | H511 | 109.6° | 109.4° |
| C50 | C51 | H512 | 109.7° | 109.5° |
| C51 | C52 | C53 | 121.3° | 120.0° |
| C51 | C52 | C54 | 120.9° | 120.0° |
| C52 | C51 | H511 | 109.6° | 109.5° |
| C52 | C51 | H512 | 109.7° | 109.5° |
| C53 | C52 | C54 | 117.8° | 120.0° |
| C52 | C53 | H531 | 109.5° | 109.5° |
| C52 | C53 | H532 | 109.5° | 109.5° |
| C52 | C53 | H533 | 109.4° | 109.5° |
| C52 | C54 | C55 | 123.5° | 120.0° |
| C52 | C54 | H54 | 118.2° | 120.0° |
| C54 | C55 | O56 | 103.8° | 109.4° |
| C55 | C54 | H54 | 118.2° | 120.0° |
| C54 | C55 | H551 | 111.4° | 109.5° |
| C54 | C55 | H552 | 112.6° | 109.5° |
| C55 | O56 | P57 | 123.5° | 123.0° |
| O56 | C55 | H551 | 111.4° | 109.4° |
| O56 | C55 | H552 | 112.6° | 109.5° |
| O56 | P57 | O58 | 103.2° | 109.5° |
| O56 | P57 | O59 | 107.5° | 109.5° |
| O56 | P57 | O60 | 101.5° | 109.4° |
| O58 | P57 | O59 | 114.7° | 109.5° |
| O58 | P57 | O60 | 115.6° | 109.5° |
| O59 | P57 | O60 | 112.6° | 109.5° |
| P57 | O59 | H59 | 109.5° | 114.0° |
| P57 | O60 | H60 | 109.5° | 114.0° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H061 | C06 | H063 | 109.4° | 109.5° |
| H062 | C06 | H063 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.4° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H101 | C10 | H102 | 110.0° | 109.4° |
| H111 | C11 | H112 | 112.1° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.4° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H151 | C15 | H152 | 111.1° | 109.5° |
| H161 | C16 | H162 | 107.2° | 109.4° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H201 | C20 | H202 | 107.6° | 109.5° |
| H211 | C21 | H212 | 108.0° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.6° |
| H251 | C25 | H252 | 109.8° | 109.5° |
| H261 | C26 | H262 | 108.2° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H301 | C30 | H302 | 111.2° | 109.5° |
| H311 | C31 | H312 | 106.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.4° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.5° |
| H351 | C35 | H352 | 107.7° | 109.5° |
| H361 | C36 | H362 | 109.3° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H381 | C38 | H383 | 109.5° | 109.5° |
| H382 | C38 | H383 | 109.5° | 109.5° |
| H401 | C40 | H402 | 108.3° | 109.4° |
| H411 | C41 | H412 | 111.2° | 109.5° |
| H431 | C43 | H432 | 109.4° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H451 | C45 | H452 | 106.2° | 109.5° |
| H461 | C46 | H462 | 111.3° | 109.5° |
| H481 | C48 | H482 | 109.4° | 109.5° |
| H481 | C48 | H483 | 109.5° | 109.5° |
| H482 | C48 | H483 | 109.5° | 109.5° |
| H501 | C50 | H502 | 107.5° | 109.4° |
| H511 | C51 | H512 | 109.2° | 109.4° |
| H531 | C53 | H532 | 109.5° | 109.4° |
| H531 | C53 | H533 | 109.5° | 109.4° |
| H532 | C53 | H533 | 109.5° | 109.5° |
| H551 | C55 | H552 | 105.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | C09 | 179.2° | 180.0° |
| C06 | C07 | C09 | C10 | 179.9° | 5.8° |
| C07 | C06 | H061 | H062 | 120.0° | 119.9° |
| C07 | C06 | H061 | H063 | 120.0° | 120.0° |
| C07 | C06 | H062 | H063 | 120.0° | 120.0° |
| C06 | C07 | C08 | H081 | 80.4° | 0.0° |
| C06 | C07 | C08 | H082 | 39.6° | 120.0° |
| C06 | C07 | C08 | H083 | 159.6° | 120.0° |
| C06 | C07 | C09 | H09 | 0.1° | 174.2° |
| C08 | C07 | C09 | C10 | 0.7° | 174.2° |
| C08 | C07 | C06 | H061 | 89.6° | 5.1° |
| C08 | C07 | C06 | H062 | 150.4° | 114.9° |
| C08 | C07 | C06 | H063 | 30.4° | 125.1° |
| C07 | C08 | H081 | H082 | 120.0° | 120.0° |
| C07 | C08 | H081 | H083 | 120.0° | 120.0° |
| C07 | C08 | H082 | H083 | 120.0° | 120.0° |
| C08 | C07 | C09 | H09 | 179.3° | 5.8° |
| C07 | C09 | C10 | H09 | 180.0° | 180.0° |
| C07 | C09 | C10 | C11 | 121.3° | 122.4° |
| C09 | C07 | C06 | H061 | 91.3° | 174.9° |
| C09 | C07 | C06 | H062 | 28.7° | 65.1° |
| C09 | C07 | C06 | H063 | 148.8° | 54.9° |
| C09 | C07 | C08 | H081 | 100.4° | 180.0° |
| C09 | C07 | C08 | H082 | 139.6° | 60.1° |
| C09 | C07 | C08 | H083 | 19.6° | 60.0° |
| C07 | C09 | C10 | H101 | 118.8° | 117.5° |
| C07 | C09 | C10 | H102 | 1.5° | 2.4° |
| C09 | C10 | C11 | H101 | 120.0° | 120.0° |
| C09 | C10 | C11 | H102 | 119.7° | 120.0° |
| C09 | C10 | C11 | C12 | 66.7° | 180.0° |
| C09 | C10 | H101 | H102 | 119.8° | 119.9° |
| C09 | C10 | C11 | H111 | 173.3° | 60.0° |
| C09 | C10 | C11 | H112 | 51.9° | 60.0° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 118.6° | 120.0° |
| C10 | C11 | C12 | C13 | 117.0° | 85.0° |
| C10 | C11 | C12 | C14 | 63.8° | 95.0° |
| C11 | C10 | C09 | H09 | 58.8° | 57.6° |
| C11 | C10 | H101 | H102 | 119.7° | 120.0° |
| C10 | C11 | H111 | H112 | 118.6° | 120.0° |
| C11 | C12 | C13 | C14 | 179.2° | 180.0° |
| C11 | C12 | C14 | C15 | 179.7° | 174.2° |
| C12 | C11 | C10 | H101 | 53.3° | 60.0° |
| C12 | C11 | C10 | H102 | 173.5° | 60.0° |
| C12 | C11 | H111 | H112 | 118.7° | 119.9° |
| C11 | C12 | C13 | H131 | 89.7° | 5.1° |
| C11 | C12 | C13 | H132 | 150.3° | 114.9° |
| C11 | C12 | C13 | H133 | 30.3° | 125.1° |
| C11 | C12 | C14 | H14 | 0.3° | 5.7° |
| C13 | C12 | C14 | C15 | 0.5° | 5.8° |
| C13 | C12 | C11 | H111 | 3.0° | 155.0° |
| C13 | C12 | C11 | H112 | 124.4° | 35.1° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C12 | C14 | H14 | 179.5° | 174.3° |
| C12 | C14 | C15 | H14 | 180.0° | 179.9° |
| C12 | C14 | C15 | C16 | 170.0° | 122.4° |
| C14 | C12 | C11 | H111 | 176.2° | 25.0° |
| C14 | C12 | C11 | H112 | 54.8° | 144.9° |
| C14 | C12 | C13 | H131 | 89.6° | 174.9° |
| C14 | C12 | C13 | H132 | 30.5° | 65.1° |
| C14 | C12 | C13 | H133 | 150.4° | 54.9° |
| C12 | C14 | C15 | H151 | 70.0° | 117.6° |
| C12 | C14 | C15 | H152 | 50.9° | 2.4° |
| C14 | C15 | C16 | H151 | 120.0° | 120.0° |
| C14 | C15 | C16 | H152 | 119.1° | 120.0° |
| C14 | C15 | C16 | C17 | 178.8° | 180.0° |
| C14 | C15 | H151 | H152 | 119.1° | 120.0° |
| C14 | C15 | C16 | H161 | 61.2° | 60.0° |
| C14 | C15 | C16 | H162 | 57.7° | 60.0° |
| C15 | C16 | C17 | H161 | 120.0° | 120.1° |
| C15 | C16 | C17 | H162 | 121.2° | 120.0° |
| C15 | C16 | C17 | C18 | 7.6° | 86.0° |
| C15 | C16 | C17 | C19 | 172.3° | 94.0° |
| C16 | C15 | C14 | H14 | 10.0° | 57.5° |
| C16 | C15 | H151 | H152 | 119.2° | 120.0° |
| C15 | C16 | H161 | H162 | 121.2° | 120.0° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C16 | C17 | C19 | C20 | 0.1° | 6.3° |
| C17 | C16 | C15 | H151 | 58.8° | 60.0° |
| C17 | C16 | C15 | H152 | 62.1° | 60.1° |
| C17 | C16 | H161 | H162 | 121.2° | 120.0° |
| C16 | C17 | C18 | H181 | 87.1° | 90.0° |
| C16 | C17 | C18 | H182 | 152.9° | 150.0° |
| C16 | C17 | C18 | H183 | 32.9° | 30.0° |
| C16 | C17 | C19 | H19 | 179.9° | 173.8° |
| C18 | C17 | C19 | C20 | 180.0° | 173.8° |
| C18 | C17 | C16 | H161 | 127.6° | 34.1° |
| C18 | C17 | C16 | H162 | 113.6° | 154.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C17 | C19 | H19 | 0.0° | 6.2° |
| C17 | C19 | C20 | H19 | 180.0° | 179.9° |
| C17 | C19 | C20 | C21 | 178.2° | 125.5° |
| C19 | C17 | C16 | H161 | 52.4° | 145.9° |
| C19 | C17 | C16 | H162 | 66.5° | 26.0° |
| C19 | C17 | C18 | H181 | 92.8° | 90.0° |
| C19 | C17 | C18 | H182 | 27.2° | 30.1° |
| C19 | C17 | C18 | H183 | 147.2° | 150.1° |
| C17 | C19 | C20 | H201 | 61.8° | 114.5° |
| C17 | C19 | C20 | H202 | 57.3° | 5.5° |
| C19 | C20 | C21 | H201 | 120.0° | 120.0° |
| C19 | C20 | C21 | H202 | 121.0° | 120.0° |
| C19 | C20 | C21 | C22 | 57.9° | 180.0° |
| C19 | C20 | H201 | H202 | 121.0° | 120.0° |
| C19 | C20 | C21 | H211 | 62.2° | 60.0° |
| C19 | C20 | C21 | H212 | 178.6° | 60.0° |
| C20 | C21 | C22 | H211 | 120.0° | 120.0° |
| C20 | C21 | C22 | H212 | 120.8° | 120.0° |
| C20 | C21 | C22 | C23 | 94.1° | 86.2° |
| C20 | C21 | C22 | C24 | 84.3° | 93.8° |
| C21 | C20 | C19 | H19 | 1.8° | 54.4° |
| C21 | C20 | H201 | H202 | 121.0° | 120.0° |
| C20 | C21 | H211 | H212 | 120.8° | 120.0° |
| C21 | C22 | C23 | C24 | 178.4° | 180.0° |
| C21 | C22 | C24 | C25 | 1.4° | 5.0° |
| C22 | C21 | C20 | H201 | 177.9° | 60.0° |
| C22 | C21 | C20 | H202 | 63.1° | 60.0° |
| C22 | C21 | H211 | H212 | 120.8° | 120.0° |
| C21 | C22 | C23 | H231 | 21.8° | 90.0° |
| C21 | C22 | C23 | H232 | 141.9° | 150.0° |
| C21 | C22 | C23 | H233 | 98.1° | 30.0° |
| C21 | C22 | C24 | H24 | 178.6° | 175.0° |
| C23 | C22 | C24 | C25 | 179.8° | 175.0° |
| C23 | C22 | C21 | H211 | 25.9° | 33.8° |
| C23 | C22 | C21 | H212 | 145.1° | 153.8° |
| C22 | C23 | H231 | H232 | 120.0° | 119.9° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H232 | H233 | 120.0° | 120.0° |
| C23 | C22 | C24 | H24 | 0.2° | 4.9° |
| C22 | C24 | C25 | H24 | 180.0° | 179.9° |
| C22 | C24 | C25 | C26 | 110.7° | 126.3° |
| C24 | C22 | C21 | H211 | 155.7° | 146.2° |
| C24 | C22 | C21 | H212 | 36.5° | 26.2° |
| C24 | C22 | C23 | H231 | 159.8° | 89.9° |
| C24 | C22 | C23 | H232 | 39.7° | 30.0° |
| C24 | C22 | C23 | H233 | 80.3° | 150.0° |
| C22 | C24 | C25 | H251 | 129.3° | 113.8° |
| C22 | C24 | C25 | H252 | 9.1° | 6.3° |
| C24 | C25 | C26 | H251 | 120.0° | 119.9° |
| C24 | C25 | C26 | H252 | 119.8° | 120.0° |
| C24 | C25 | C26 | C27 | 146.8° | 180.0° |
| C24 | C25 | H251 | H252 | 119.8° | 120.0° |
| C24 | C25 | C26 | H261 | 26.8° | 60.0° |
| C24 | C25 | C26 | H262 | 92.6° | 60.1° |
| C25 | C26 | C27 | H261 | 120.0° | 120.0° |
| C25 | C26 | C27 | H262 | 120.6° | 120.0° |
| C25 | C26 | C27 | C28 | 20.0° | 87.1° |
| C25 | C26 | C27 | C29 | 160.2° | 92.9° |
| C26 | C25 | C24 | H24 | 69.3° | 53.7° |
| C26 | C25 | H251 | H252 | 119.8° | 120.1° |
| C25 | C26 | H261 | H262 | 120.7° | 120.1° |
| C26 | C27 | C28 | C29 | 179.8° | 180.0° |
| C26 | C27 | C29 | C30 | 0.5° | 6.4° |
| C27 | C26 | C25 | H251 | 93.2° | 60.1° |
| C27 | C26 | C25 | H252 | 27.0° | 60.0° |
| C27 | C26 | H261 | H262 | 120.7° | 119.9° |
| C26 | C27 | C28 | H281 | 71.2° | 90.0° |
| C26 | C27 | C28 | H282 | 48.7° | 150.0° |
| C26 | C27 | C28 | H283 | 168.7° | 30.0° |
| C26 | C27 | C29 | H29 | 179.5° | 173.6° |
| C28 | C27 | C29 | C30 | 179.7° | 173.6° |
| C28 | C27 | C26 | H261 | 140.0° | 32.9° |
| C28 | C27 | C26 | H262 | 100.7° | 152.9° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C28 | C27 | C29 | H29 | 0.3° | 6.4° |
| C27 | C29 | C30 | H29 | 180.0° | 180.0° |
| C27 | C29 | C30 | C31 | 126.5° | 127.0° |
| C29 | C27 | C26 | H261 | 40.2° | 147.1° |
| C29 | C27 | C26 | H262 | 79.1° | 27.1° |
| C29 | C27 | C28 | H281 | 108.5° | 90.0° |
| C29 | C27 | C28 | H282 | 131.5° | 30.0° |
| C29 | C27 | C28 | H283 | 11.5° | 150.0° |
| C27 | C29 | C30 | H301 | 113.6° | 112.9° |
| C27 | C29 | C30 | H302 | 7.4° | 7.1° |
| C29 | C30 | C31 | H301 | 120.0° | 120.0° |
| C29 | C30 | C31 | H302 | 119.1° | 119.9° |
| C29 | C30 | C31 | C32 | 168.4° | 180.0° |
| C29 | C30 | H301 | H302 | 119.1° | 120.0° |
| C29 | C30 | C31 | H311 | 48.4° | 60.0° |
| C29 | C30 | C31 | H312 | 70.1° | 60.1° |
| C30 | C31 | C32 | H311 | 120.0° | 120.1° |
| C30 | C31 | C32 | H312 | 121.5° | 119.9° |
| C30 | C31 | C32 | C33 | 12.1° | 87.2° |
| C30 | C31 | C32 | C34 | 168.0° | 92.9° |
| C31 | C30 | C29 | H29 | 53.6° | 53.0° |
| C31 | C30 | H301 | H302 | 119.2° | 120.0° |
| C30 | C31 | H311 | H312 | 121.6° | 120.0° |
| C31 | C32 | C33 | C34 | 179.9° | 179.9° |
| C31 | C32 | C34 | C35 | 0.4° | 6.2° |
| C32 | C31 | C30 | H301 | 71.6° | 59.9° |
| C32 | C31 | C30 | H302 | 49.3° | 60.1° |
| C32 | C31 | H311 | H312 | 121.5° | 120.0° |
| C31 | C32 | C33 | H331 | 26.4° | 89.9° |
| C31 | C32 | C33 | H332 | 93.6° | 150.0° |
| C31 | C32 | C33 | H333 | 146.3° | 30.0° |
| C31 | C32 | C34 | H34 | 179.6° | 173.9° |
| C33 | C32 | C34 | C35 | 179.6° | 173.9° |
| C33 | C32 | C31 | H311 | 132.1° | 32.9° |
| C33 | C32 | C31 | H312 | 109.4° | 152.9° |
| C32 | C33 | H331 | H332 | 120.0° | 120.0° |
| C32 | C33 | H331 | H333 | 120.0° | 119.9° |
| C32 | C33 | H332 | H333 | 120.0° | 120.0° |
| C33 | C32 | C34 | H34 | 0.4° | 6.1° |
| C32 | C34 | C35 | H34 | 180.0° | 180.0° |
| C32 | C34 | C35 | C36 | 178.8° | 124.6° |
| C34 | C32 | C31 | H311 | 48.0° | 147.1° |
| C34 | C32 | C31 | H312 | 70.5° | 27.0° |
| C34 | C32 | C33 | H331 | 153.6° | 90.0° |
| C34 | C32 | C33 | H332 | 86.4° | 30.0° |
| C34 | C32 | C33 | H333 | 33.6° | 150.1° |
| C32 | C34 | C35 | H351 | 61.2° | 115.4° |
| C32 | C34 | C35 | H352 | 57.9° | 4.7° |
| C34 | C35 | C36 | H351 | 120.0° | 120.0° |
| C34 | C35 | C36 | H352 | 120.9° | 119.9° |
| C34 | C35 | C36 | C37 | 86.8° | 180.0° |
| C34 | C35 | H351 | H352 | 120.9° | 120.0° |
| C34 | C35 | C36 | H361 | 33.1° | 60.0° |
| C34 | C35 | C36 | H362 | 153.1° | 60.1° |
| C35 | C36 | C37 | H361 | 120.0° | 120.0° |
| C35 | C36 | C37 | H362 | 120.1° | 119.9° |
| C35 | C36 | C37 | C38 | 6.8° | 87.1° |
| C35 | C36 | C37 | C39 | 171.3° | 92.9° |
| C36 | C35 | C34 | H34 | 1.2° | 55.4° |
| C36 | C35 | H351 | H352 | 121.0° | 120.0° |
| C35 | C36 | H361 | H362 | 120.1° | 120.0° |
| C36 | C37 | C38 | C39 | 178.2° | 180.0° |
| C36 | C37 | C39 | C40 | 1.1° | 6.3° |
| C37 | C36 | C35 | H351 | 153.2° | 60.0° |
| C37 | C36 | C35 | H352 | 34.0° | 60.1° |
| C37 | C36 | H361 | H362 | 120.1° | 120.0° |
| C36 | C37 | C38 | H381 | 43.4° | 90.0° |
| C36 | C37 | C38 | H382 | 76.6° | 150.0° |
| C36 | C37 | C38 | H383 | 163.4° | 30.0° |
| C36 | C37 | C39 | H39 | 179.0° | 173.6° |
| C38 | C37 | C39 | C40 | 179.3° | 173.7° |
| C38 | C37 | C36 | H361 | 113.1° | 32.9° |
| C38 | C37 | C36 | H362 | 126.9° | 153.0° |
| C37 | C38 | H381 | H382 | 120.0° | 120.1° |
| C37 | C38 | H381 | H383 | 120.0° | 119.9° |
| C37 | C38 | H382 | H383 | 120.0° | 120.0° |
| C38 | C37 | C39 | H39 | 0.8° | 6.4° |
| C37 | C39 | C40 | H39 | 180.0° | 179.9° |
| C37 | C39 | C40 | C41 | 136.1° | 126.3° |
| C39 | C37 | C36 | H361 | 68.7° | 147.1° |
| C39 | C37 | C36 | H362 | 51.2° | 27.0° |
| C39 | C37 | C38 | H381 | 134.8° | 90.1° |
| C39 | C37 | C38 | H382 | 105.2° | 30.0° |
| C39 | C37 | C38 | H383 | 14.8° | 150.0° |
| C37 | C39 | C40 | H401 | 103.9° | 113.7° |
| C37 | C39 | C40 | H402 | 15.5° | 6.3° |
| C39 | C40 | C41 | H401 | 120.0° | 120.1° |
| C39 | C40 | C41 | H402 | 120.6° | 120.0° |
| C39 | C40 | C41 | C42 | 152.3° | 180.0° |
| C39 | C40 | H401 | H402 | 120.6° | 120.0° |
| C39 | C40 | C41 | H411 | 87.7° | 60.0° |
| C39 | C40 | C41 | H412 | 33.2° | 60.0° |
| C40 | C41 | C42 | H411 | 120.0° | 120.0° |
| C40 | C41 | C42 | H412 | 119.1° | 120.0° |
| C40 | C41 | C42 | C43 | 25.0° | 87.0° |
| C40 | C41 | C42 | C44 | 155.8° | 93.0° |
| C41 | C40 | C39 | H39 | 43.9° | 53.7° |
| C41 | C40 | H401 | H402 | 120.7° | 119.9° |
| C40 | C41 | H411 | H412 | 119.1° | 120.0° |
| C41 | C42 | C43 | C44 | 179.2° | 180.0° |
| C41 | C42 | C44 | C45 | 0.8° | 6.3° |
| C42 | C41 | C40 | H401 | 32.3° | 60.0° |
| C42 | C41 | C40 | H402 | 87.1° | 60.0° |
| C42 | C41 | H411 | H412 | 119.1° | 120.1° |
| C41 | C42 | C43 | H431 | 7.5° | 90.0° |
| C41 | C42 | C43 | H432 | 112.5° | 150.0° |
| C41 | C42 | C43 | H433 | 127.5° | 30.0° |
| C41 | C42 | C44 | H44 | 179.2° | 173.6° |
| C43 | C42 | C44 | C45 | 179.9° | 173.7° |
| C43 | C42 | C41 | H411 | 94.9° | 32.9° |
| C43 | C42 | C41 | H412 | 144.1° | 153.0° |
| C42 | C43 | H431 | H432 | 120.0° | 120.0° |
| C42 | C43 | H431 | H433 | 120.0° | 119.9° |
| C42 | C43 | H432 | H433 | 120.0° | 120.0° |
| C43 | C42 | C44 | H44 | 0.0° | 6.4° |
| C42 | C44 | C45 | H44 | 180.0° | 179.9° |
| C42 | C44 | C45 | C46 | 165.8° | 126.3° |
| C44 | C42 | C41 | H411 | 84.2° | 147.1° |
| C44 | C42 | C41 | H412 | 36.7° | 27.0° |
| C44 | C42 | C43 | H431 | 173.3° | 90.0° |
| C44 | C42 | C43 | H432 | 66.7° | 30.0° |
| C44 | C42 | C43 | H433 | 53.3° | 150.0° |
| C42 | C44 | C45 | H451 | 74.2° | 113.7° |
| C42 | C44 | C45 | H452 | 44.2° | 6.4° |
| C44 | C45 | C46 | H451 | 120.0° | 120.0° |
| C44 | C45 | C46 | H452 | 121.6° | 119.9° |
| C44 | C45 | C46 | C47 | 153.2° | 180.0° |
| C44 | C45 | H451 | H452 | 121.8° | 120.0° |
| C44 | C45 | C46 | H461 | 86.8° | 60.0° |
| C44 | C45 | C46 | H462 | 34.1° | 60.0° |
| C45 | C46 | C47 | H461 | 120.0° | 120.0° |
| C45 | C46 | C47 | H462 | 119.0° | 120.0° |
| C45 | C46 | C47 | C48 | 56.3° | 87.0° |
| C45 | C46 | C47 | C49 | 124.7° | 93.0° |
| C46 | C45 | C44 | H44 | 14.1° | 53.8° |
| C46 | C45 | H451 | H452 | 121.8° | 120.0° |
| C45 | C46 | H461 | H462 | 119.1° | 120.0° |
| C46 | C47 | C48 | C49 | 179.0° | 180.0° |
| C46 | C47 | C49 | C50 | 0.8° | 6.4° |
| C47 | C46 | C45 | H451 | 33.2° | 60.0° |
| C47 | C46 | C45 | H452 | 85.2° | 60.0° |
| C47 | C46 | H461 | H462 | 119.1° | 120.0° |
| C46 | C47 | C48 | H481 | 157.1° | 90.0° |
| C46 | C47 | C48 | H482 | 82.9° | 150.0° |
| C46 | C47 | C48 | H483 | 37.1° | 30.0° |
| C46 | C47 | C49 | H49 | 179.2° | 173.7° |
| C48 | C47 | C49 | C50 | 179.8° | 173.6° |
| C48 | C47 | C46 | H461 | 63.7° | 33.0° |
| C48 | C47 | C46 | H462 | 175.4° | 153.0° |
| C47 | C48 | H481 | H482 | 120.0° | 120.0° |
| C47 | C48 | H481 | H483 | 120.0° | 120.0° |
| C47 | C48 | H482 | H483 | 120.0° | 120.0° |
| C48 | C47 | C49 | H49 | 0.2° | 6.3° |
| C47 | C49 | C50 | H49 | 180.0° | 179.9° |
| C47 | C49 | C50 | C51 | 175.8° | 126.3° |
| C49 | C47 | C46 | H461 | 115.3° | 147.0° |
| C49 | C47 | C46 | H462 | 5.7° | 27.0° |
| C49 | C47 | C48 | H481 | 21.9° | 90.0° |
| C49 | C47 | C48 | H482 | 98.1° | 30.0° |
| C49 | C47 | C48 | H483 | 142.0° | 150.0° |
| C47 | C49 | C50 | H501 | 64.2° | 113.7° |
| C47 | C49 | C50 | H502 | 54.8° | 6.3° |
| C49 | C50 | C51 | H501 | 120.0° | 120.0° |
| C49 | C50 | C51 | H502 | 121.0° | 120.1° |
| C49 | C50 | C51 | C52 | 168.1° | NaN° |
| C49 | C50 | H501 | H502 | 121.0° | 120.0° |
| C49 | C50 | C51 | H511 | 71.9° | 60.0° |
| C49 | C50 | C51 | H512 | 48.0° | 59.9° |
| C50 | C51 | C52 | H511 | 120.0° | 120.0° |
| C50 | C51 | C52 | H512 | 120.2° | 120.1° |
| C50 | C51 | C52 | C53 | 28.5° | 86.2° |
| C50 | C51 | C52 | C54 | 151.0° | 93.8° |
| C51 | C50 | C49 | H49 | 4.2° | 53.6° |
| C51 | C50 | H501 | H502 | 121.1° | 120.0° |
| C50 | C51 | H511 | H512 | 120.2° | 120.0° |
| C51 | C52 | C53 | C54 | 179.6° | 179.9° |
| C51 | C52 | C54 | C55 | 0.5° | 5.2° |
| C52 | C51 | C50 | H501 | 48.1° | 60.0° |
| C52 | C51 | C50 | H502 | 70.9° | 59.9° |
| C52 | C51 | H511 | H512 | 120.1° | 120.0° |
| C51 | C52 | C53 | H531 | 9.3° | 90.0° |
| C51 | C52 | C53 | H532 | 129.3° | 150.0° |
| C51 | C52 | C53 | H533 | 110.6° | 29.9° |
| C51 | C52 | C54 | H54 | 179.5° | 174.7° |
| C53 | C52 | C54 | C55 | 179.9° | 174.8° |
| C53 | C52 | C51 | H511 | 91.5° | 33.8° |
| C53 | C52 | C51 | H512 | 148.7° | 153.8° |
| C52 | C53 | H531 | H532 | 120.0° | 120.0° |
| C52 | C53 | H531 | H533 | 120.0° | 120.0° |
| C52 | C53 | H532 | H533 | 120.0° | 120.1° |
| C53 | C52 | C54 | H54 | 0.1° | 5.3° |
| C52 | C54 | C55 | H54 | 180.0° | 179.9° |
| C52 | C54 | C55 | O56 | 128.2° | 135.6° |
| C54 | C52 | C51 | H511 | 89.0° | 146.2° |
| C54 | C52 | C51 | H512 | 30.9° | 26.3° |
| C54 | C52 | C53 | H531 | 171.1° | 90.0° |
| C54 | C52 | C53 | H532 | 51.1° | 29.9° |
| C54 | C52 | C53 | H533 | 68.9° | 150.0° |
| C52 | C54 | C55 | H551 | 111.8° | 104.5° |
| C52 | C54 | C55 | H552 | 6.1° | 15.5° |
| C54 | C55 | O56 | H551 | 120.0° | 120.0° |
| C54 | C55 | O56 | H552 | 122.1° | 120.0° |
| C54 | C55 | O56 | P57 | 94.3° | 180.0° |
| C54 | C55 | H551 | H552 | 122.3° | 120.0° |
| C55 | O56 | P57 | O58 | 88.1° | 55.0° |
| C55 | O56 | P57 | O59 | 33.5° | 65.0° |
| C55 | O56 | P57 | O60 | 151.9° | 175.0° |
| O56 | C55 | C54 | H54 | 51.8° | 44.5° |
| O56 | C55 | H551 | H552 | 122.3° | 120.0° |
| O56 | P57 | O58 | O59 | 116.6° | 120.0° |
| O56 | P57 | O58 | O60 | 109.9° | 120.0° |
| O56 | P57 | O59 | O60 | 111.0° | 120.0° |
| P57 | O56 | C55 | H551 | 25.8° | 60.0° |
| P57 | O56 | C55 | H552 | 143.7° | 60.0° |
| O56 | P57 | O60 | H60 | 26.3° | 180.0° |
| O56 | P57 | O59 | H59 | 145.8° | 60.0° |
| O58 | P57 | O59 | O60 | 134.9° | 120.0° |
| O58 | P57 | O60 | H60 | 84.5° | 60.0° |
| O58 | P57 | O59 | H59 | 100.1° | 180.0° |
| O59 | P57 | O60 | H60 | 141.0° | 60.0° |
| O60 | P57 | O59 | H59 | 34.8° | 60.0° |
| H061 | C06 | H062 | H063 | 120.0° | 120.1° |
| H081 | C08 | H082 | H083 | 120.0° | 120.0° |
| H09 | C09 | C10 | H101 | 61.2° | 62.4° |
| H09 | C09 | C10 | H102 | 178.5° | 177.6° |
| H101 | C10 | C11 | H111 | 66.7° | 180.0° |
| H101 | C10 | C11 | H112 | 171.8° | 60.0° |
| H102 | C10 | C11 | H111 | 53.5° | 60.0° |
| H102 | C10 | C11 | H112 | 67.9° | 180.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.1° |
| H14 | C14 | C15 | H151 | 110.0° | 62.5° |
| H14 | C14 | C15 | H152 | 129.1° | 177.5° |
| H151 | C15 | C16 | H161 | 178.8° | 179.9° |
| H151 | C15 | C16 | H162 | 62.4° | 60.0° |
| H152 | C15 | C16 | H161 | 57.9° | 60.0° |
| H152 | C15 | C16 | H162 | 176.8° | 180.0° |
| H181 | C18 | H182 | H183 | 119.9° | 120.0° |
| H19 | C19 | C20 | H201 | 118.2° | 65.6° |
| H19 | C19 | C20 | H202 | 122.7° | 174.4° |
| H201 | C20 | C21 | H211 | 57.8° | 180.0° |
| H201 | C20 | C21 | H212 | 61.4° | 60.0° |
| H202 | C20 | C21 | H211 | 176.9° | 60.0° |
| H202 | C20 | C21 | H212 | 57.7° | 180.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.1° |
| H24 | C24 | C25 | H251 | 50.7° | 66.3° |
| H24 | C24 | C25 | H252 | 170.9° | 173.7° |
| H251 | C25 | C26 | H261 | 146.8° | 179.9° |
| H251 | C25 | C26 | H262 | 27.4° | 59.9° |
| H252 | C25 | C26 | H261 | 93.0° | 60.0° |
| H252 | C25 | C26 | H262 | 147.6° | 180.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H29 | C29 | C30 | H301 | 66.4° | 67.1° |
| H29 | C29 | C30 | H302 | 172.7° | 172.9° |
| H301 | C30 | C31 | H311 | 168.4° | 180.0° |
| H301 | C30 | C31 | H312 | 49.9° | 60.0° |
| H302 | C30 | C31 | H311 | 70.6° | 60.0° |
| H302 | C30 | C31 | H312 | 170.8° | 180.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
| H34 | C34 | C35 | H351 | 118.8° | 64.7° |
| H34 | C34 | C35 | H352 | 122.1° | 175.3° |
| H351 | C35 | C36 | H361 | 86.9° | 179.9° |
| H351 | C35 | C36 | H362 | 33.1° | 60.0° |
| H352 | C35 | C36 | H361 | 154.0° | 59.9° |
| H352 | C35 | C36 | H362 | 86.0° | 180.0° |
| H381 | C38 | H382 | H383 | 120.0° | 120.0° |
| H39 | C39 | C40 | H401 | 76.1° | 66.3° |
| H39 | C39 | C40 | H402 | 164.6° | 173.7° |
| H401 | C40 | C41 | H411 | 152.3° | 179.9° |
| H401 | C40 | C41 | H412 | 86.8° | 60.0° |
| H402 | C40 | C41 | H411 | 32.9° | 60.0° |
| H402 | C40 | C41 | H412 | 153.8° | 180.0° |
| H431 | C43 | H432 | H433 | 120.0° | 120.1° |
| H44 | C44 | C45 | H451 | 105.8° | 66.3° |
| H44 | C44 | C45 | H452 | 135.8° | 173.7° |
| H451 | C45 | C46 | H461 | 153.2° | 180.0° |
| H451 | C45 | C46 | H462 | 85.9° | 60.0° |
| H452 | C45 | C46 | H461 | 34.8° | 60.0° |
| H452 | C45 | C46 | H462 | 155.8° | 180.0° |
| H481 | C48 | H482 | H483 | 120.0° | 120.0° |
| H49 | C49 | C50 | H501 | 115.8° | 66.3° |
| H49 | C49 | C50 | H502 | 125.2° | 173.7° |
| H501 | C50 | C51 | H511 | 168.1° | 180.0° |
| H501 | C50 | C51 | H512 | 72.0° | 60.1° |
| H502 | C50 | C51 | H511 | 49.1° | 60.1° |
| H502 | C50 | C51 | H512 | 169.0° | NaN° |
| H531 | C53 | H532 | H533 | 120.0° | 120.0° |
| H54 | C54 | C55 | H551 | 68.2° | 75.5° |
| H54 | C54 | C55 | H552 | 173.9° | 164.5° |
