M2R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C49 | C50 | sing | 1.53Å | 1.53Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| C50 | C51 | sing | 1.53Å | 1.53Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C46 | C45 | sing | 1.53Å | 1.52Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | doub | 1.31Å | 1.33Å | |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C05 | N03 | sing | 1.47Å | 1.46Å | |
| C22 | C23 | doub | 1.31Å | 1.33Å | |
| C04 | N03 | sing | 1.47Å | 1.46Å | |
| C06 | N03 | sing | 1.47Å | 1.46Å | |
| N03 | C02 | sing | 1.47Å | 1.46Å | |
| C15 | O35 | doub | 1.21Å | 1.18Å | |
| C15 | O14 | sing | 1.34Å | 1.40Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| O14 | C13 | sing | 1.45Å | 1.39Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C01 | O07 | sing | 1.43Å | 1.41Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | doub | 1.31Å | 1.33Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C36 | sing | 1.53Å | 1.52Å | |
| C12 | O11 | sing | 1.43Å | 1.40Å | |
| O07 | P08 | sing | 1.61Å | 1.64Å | |
| O39 | C38 | doub | 1.21Å | 1.19Å | |
| C40 | C38 | sing | 1.51Å | 1.52Å | |
| C38 | O37 | sing | 1.34Å | 1.40Å | |
| C36 | O37 | sing | 1.45Å | 1.39Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| O11 | P08 | sing | 1.61Å | 1.65Å | |
| P08 | O09 | doub | 1.48Å | 1.51Å | |
| P08 | O10 | sing | 1.61Å | 1.51Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C28 | C29 | doub | 1.31Å | 1.33Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | 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 | |
| C05 | H053 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | 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 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C54 | H543 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| O10 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C50 | C49 | C48 | 112.1° | 109.5° |
| C49 | C50 | C51 | 111.9° | 109.4° |
| C50 | C49 | H491 | 108.8° | 109.5° |
| C50 | C49 | H492 | 108.8° | 109.5° |
| C49 | C50 | H502 | 108.9° | 109.5° |
| C49 | C50 | H501 | 108.9° | 109.5° |
| C49 | C48 | C47 | 111.1° | 109.5° |
| C49 | C48 | H481 | 109.1° | 109.4° |
| C49 | C48 | H482 | 109.1° | 109.5° |
| C48 | C49 | H491 | 108.8° | 109.5° |
| C48 | C49 | H492 | 108.8° | 109.5° |
| C50 | C51 | C52 | 112.8° | 109.4° |
| C51 | C50 | H502 | 108.9° | 109.4° |
| C51 | C50 | H501 | 108.8° | 109.5° |
| C50 | C51 | H512 | 108.6° | 109.5° |
| C50 | C51 | H511 | 108.6° | 109.5° |
| C48 | C47 | C46 | 113.4° | 109.5° |
| C48 | C47 | H471 | 108.5° | 109.5° |
| C48 | C47 | H472 | 108.5° | 109.5° |
| C47 | C48 | H481 | 109.1° | 109.5° |
| C47 | C48 | H482 | 109.0° | 109.5° |
| C47 | C46 | C45 | 111.9° | 109.4° |
| C47 | C46 | H461 | 108.9° | 109.4° |
| C47 | C46 | H462 | 108.8° | 109.4° |
| C46 | C47 | H471 | 108.5° | 109.5° |
| C46 | C47 | H472 | 108.5° | 109.5° |
| C51 | C52 | C53 | 111.3° | 109.5° |
| C52 | C51 | H512 | 108.6° | 109.4° |
| C52 | C51 | H511 | 108.7° | 109.5° |
| C51 | C52 | H521 | 109.0° | 109.5° |
| C51 | C52 | H522 | 109.0° | 109.5° |
| C46 | C45 | C44 | 112.5° | 109.4° |
| C46 | C45 | H451 | 108.7° | 109.5° |
| C46 | C45 | H452 | 108.7° | 109.4° |
| C45 | C46 | H461 | 108.8° | 109.5° |
| C45 | C46 | H462 | 108.9° | 109.5° |
| C52 | C53 | C54 | 112.8° | 109.5° |
| C53 | C52 | H521 | 109.0° | 109.4° |
| C53 | C52 | H522 | 109.0° | 109.5° |
| C52 | C53 | H531 | 108.6° | 109.5° |
| C52 | C53 | H532 | 108.7° | 109.5° |
| C18 | C17 | C16 | 113.2° | 109.5° |
| C17 | C18 | C19 | 108.9° | 109.4° |
| C18 | C17 | H172 | 108.5° | 109.5° |
| C18 | C17 | H171 | 108.5° | 109.5° |
| C17 | C18 | H182 | 109.6° | 109.5° |
| C17 | C18 | H181 | 109.6° | 109.5° |
| C17 | C16 | C15 | 112.4° | 109.5° |
| C16 | C17 | H172 | 108.6° | 109.5° |
| C16 | C17 | H171 | 108.6° | 109.4° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C17 | C16 | H161 | 108.8° | 109.4° |
| C45 | C44 | C43 | 113.1° | 109.5° |
| C45 | C44 | H442 | 108.6° | 109.5° |
| C45 | C44 | H441 | 108.6° | 109.4° |
| C44 | C45 | H451 | 108.7° | 109.5° |
| C44 | C45 | H452 | 108.7° | 109.5° |
| C20 | C19 | C18 | 121.3° | 120.1° |
| C19 | C20 | C21 | 120.5° | 119.9° |
| C19 | C20 | H201 | 119.7° | 120.0° |
| C20 | C19 | H191 | 119.3° | 120.0° |
| C19 | C18 | H182 | 109.6° | 109.4° |
| C19 | C18 | H181 | 109.6° | 109.5° |
| C18 | C19 | H191 | 119.3° | 120.0° |
| C20 | C21 | C22 | 109.8° | 109.4° |
| C21 | C20 | H201 | 119.7° | 120.0° |
| C20 | C21 | H212 | 109.4° | 109.4° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| C54 | C53 | H531 | 108.7° | 109.5° |
| C54 | C53 | H532 | 108.6° | 109.4° |
| C53 | C54 | H543 | 109.5° | 109.5° |
| C53 | C54 | H542 | 109.5° | 109.5° |
| C53 | C54 | H541 | 109.5° | 109.5° |
| C16 | C15 | O35 | 121.0° | 120.0° |
| C16 | C15 | O14 | 118.9° | 120.0° |
| C15 | C16 | H162 | 108.8° | 109.5° |
| C15 | C16 | H161 | 108.7° | 109.5° |
| C44 | C43 | C42 | 112.9° | 109.5° |
| C44 | C43 | H431 | 108.6° | 109.5° |
| C44 | C43 | H432 | 108.6° | 109.4° |
| C43 | C44 | H442 | 108.5° | 109.5° |
| C43 | C44 | H441 | 108.6° | 109.5° |
| C21 | C22 | C23 | 122.9° | 120.0° |
| C22 | C21 | H212 | 109.4° | 109.5° |
| C22 | C21 | H211 | 109.4° | 109.5° |
| C21 | C22 | H221 | 118.6° | 120.1° |
| C05 | N03 | C04 | 109.0° | 109.5° |
| C05 | N03 | C06 | 110.1° | 109.5° |
| C05 | N03 | C02 | 107.2° | 109.5° |
| N03 | C05 | H052 | 109.5° | 109.5° |
| N03 | C05 | H051 | 109.4° | 109.5° |
| N03 | C05 | H053 | 109.5° | 109.5° |
| C22 | C23 | C24 | 123.1° | 120.0° |
| C23 | C22 | H221 | 118.5° | 120.0° |
| C22 | C23 | H231 | 118.5° | 120.0° |
| C04 | N03 | C06 | 109.6° | 109.5° |
| C04 | N03 | C02 | 111.0° | 109.5° |
| N03 | C04 | H043 | 109.5° | 109.5° |
| N03 | C04 | H042 | 109.5° | 109.5° |
| N03 | C04 | H041 | 109.5° | 109.5° |
| C06 | N03 | C02 | 109.9° | 109.5° |
| N03 | C06 | H062 | 109.5° | 109.4° |
| N03 | C06 | H061 | 109.5° | 109.5° |
| N03 | C06 | H063 | 109.5° | 109.5° |
| N03 | C02 | C01 | 112.9° | 109.5° |
| N03 | C02 | H022 | 108.6° | 109.5° |
| N03 | C02 | H021 | 108.6° | 109.5° |
| O35 | C15 | O14 | 120.1° | 120.0° |
| C15 | O14 | C13 | 115.9° | 117.1° |
| C43 | C42 | C41 | 113.4° | 109.5° |
| C43 | C42 | H422 | 108.5° | 109.4° |
| C43 | C42 | H421 | 108.5° | 109.5° |
| C42 | C43 | H431 | 108.6° | 109.5° |
| C42 | C43 | H432 | 108.6° | 109.5° |
| C42 | C41 | C40 | 111.9° | 109.5° |
| C42 | C41 | H412 | 108.9° | 109.5° |
| C42 | C41 | H411 | 108.9° | 109.5° |
| C41 | C42 | H422 | 108.5° | 109.5° |
| C41 | C42 | H421 | 108.5° | 109.5° |
| C23 | C24 | C25 | 105.7° | 109.5° |
| C23 | C24 | H242 | 110.4° | 109.5° |
| C23 | C24 | H241 | 110.4° | 109.5° |
| C24 | C23 | H231 | 118.5° | 120.0° |
| O14 | C13 | C12 | 110.7° | 109.5° |
| O14 | C13 | C36 | 105.7° | 109.5° |
| O14 | C13 | H131 | 111.2° | 109.4° |
| C02 | C01 | O07 | 106.5° | 109.5° |
| C02 | C01 | H012 | 110.2° | 109.4° |
| C02 | C01 | H011 | 110.2° | 109.4° |
| C01 | C02 | H022 | 108.6° | 109.5° |
| C01 | C02 | H021 | 108.6° | 109.5° |
| C24 | C25 | C26 | 122.1° | 120.0° |
| C25 | C24 | H242 | 110.4° | 109.5° |
| C25 | C24 | H241 | 110.4° | 109.5° |
| C24 | C25 | H251 | 119.0° | 120.0° |
| C01 | O07 | P08 | 119.1° | 123.0° |
| O07 | C01 | H012 | 110.2° | 109.5° |
| O07 | C01 | H011 | 110.2° | 109.5° |
| C41 | C40 | C38 | 111.0° | 109.5° |
| C41 | C40 | H402 | 109.1° | 109.4° |
| C41 | C40 | H401 | 109.1° | 109.5° |
| C40 | C41 | H412 | 108.9° | 109.4° |
| C40 | C41 | H411 | 108.9° | 109.5° |
| C25 | C26 | C27 | 121.1° | 120.0° |
| C25 | C26 | H261 | 119.5° | 120.0° |
| C26 | C25 | H251 | 119.0° | 120.0° |
| C12 | C13 | C36 | 110.6° | 109.5° |
| C13 | C12 | O11 | 105.5° | 109.5° |
| C12 | C13 | H131 | 109.3° | 109.5° |
| C13 | C12 | H122 | 110.4° | 109.4° |
| C13 | C12 | H121 | 110.4° | 109.5° |
| C13 | C36 | O37 | 107.5° | 109.5° |
| C36 | C13 | H131 | 109.3° | 109.5° |
| C13 | C36 | H362 | 110.0° | 109.4° |
| C13 | C36 | H361 | 110.0° | 109.5° |
| C12 | O11 | P08 | 119.3° | 123.0° |
| O11 | C12 | H122 | 110.4° | 109.5° |
| O11 | C12 | H121 | 110.5° | 109.5° |
| O07 | P08 | O11 | 110.1° | 109.5° |
| O07 | P08 | O09 | 108.5° | 109.5° |
| O07 | P08 | O10 | 109.7° | 109.5° |
| O39 | C38 | C40 | 119.0° | 120.0° |
| O39 | C38 | O37 | 121.8° | 120.0° |
| C40 | C38 | O37 | 119.2° | 120.0° |
| C38 | C40 | H402 | 109.1° | 109.5° |
| C38 | C40 | H401 | 109.1° | 109.5° |
| C38 | O37 | C36 | 116.7° | 117.0° |
| O37 | C36 | H362 | 110.0° | 109.4° |
| O37 | C36 | H361 | 110.0° | 109.5° |
| C26 | C27 | C28 | 107.7° | 109.5° |
| C27 | C26 | H261 | 119.4° | 120.1° |
| C26 | C27 | H271 | 109.9° | 109.5° |
| C26 | C27 | H272 | 109.9° | 109.5° |
| O11 | P08 | O09 | 109.8° | 109.5° |
| O11 | P08 | O10 | 108.6° | 109.5° |
| O09 | P08 | O10 | 110.3° | 109.5° |
| P08 | O10 | H1 | 109.5° | 114.0° |
| C27 | C28 | C29 | 120.7° | 120.0° |
| C27 | C28 | H281 | 119.7° | 120.0° |
| C28 | C27 | H271 | 109.9° | 109.5° |
| C28 | C27 | H272 | 109.9° | 109.5° |
| C28 | C29 | C30 | 120.3° | 120.0° |
| C29 | C28 | H281 | 119.7° | 120.0° |
| C28 | C29 | H291 | 119.9° | 120.0° |
| C29 | C30 | C31 | 110.4° | 109.5° |
| C30 | C29 | H291 | 119.9° | 120.0° |
| C29 | C30 | H302 | 109.2° | 109.5° |
| C29 | C30 | H301 | 109.2° | 109.5° |
| C30 | C31 | C32 | 113.2° | 109.5° |
| C31 | C30 | H302 | 109.3° | 109.5° |
| C31 | C30 | H301 | 109.3° | 109.4° |
| C30 | C31 | H311 | 108.5° | 109.5° |
| C30 | C31 | H312 | 108.6° | 109.4° |
| C34 | C33 | C32 | 110.9° | 109.5° |
| C34 | C33 | H331 | 109.1° | 109.5° |
| C34 | C33 | H332 | 109.1° | 109.5° |
| C33 | C34 | H342 | 109.5° | 109.5° |
| C33 | C34 | H341 | 109.4° | 109.5° |
| C33 | C34 | H343 | 109.5° | 109.5° |
| C31 | C32 | C33 | 111.0° | 109.5° |
| C32 | C31 | H311 | 108.5° | 109.5° |
| C32 | C31 | H312 | 108.5° | 109.5° |
| C31 | C32 | H321 | 109.1° | 109.5° |
| C31 | C32 | H322 | 109.1° | 109.5° |
| C33 | C32 | H321 | 109.1° | 109.5° |
| C33 | C32 | H322 | 109.1° | 109.5° |
| C32 | C33 | H331 | 109.1° | 109.5° |
| C32 | C33 | H332 | 109.1° | 109.5° |
| H172 | C17 | H171 | 109.4° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.4° |
| H043 | C04 | H042 | 109.5° | 109.4° |
| H043 | C04 | H041 | 109.4° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H052 | C05 | H053 | 109.5° | 109.5° |
| H051 | C05 | H053 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.4° | 109.5° |
| H062 | C06 | H063 | 109.5° | 109.5° |
| H061 | C06 | H063 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H302 | C30 | H301 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H321 | C32 | H322 | 109.4° | 109.4° |
| H331 | C33 | H332 | 109.4° | 109.4° |
| H342 | C34 | H341 | 109.4° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.4° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H412 | C41 | H411 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H442 | C44 | H441 | 109.5° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.4° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.5° | 109.4° |
| H502 | C50 | H501 | 109.5° | 109.5° |
| H512 | C51 | H511 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H531 | C53 | H532 | 109.5° | 109.4° |
| H543 | C54 | H542 | 109.5° | 109.4° |
| H543 | C54 | H541 | 109.5° | 109.4° |
| H542 | C54 | H541 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C50 | C49 | C48 | H491 | 120.4° | 120.0° |
| C50 | C49 | C48 | H492 | 120.4° | 120.0° |
| C49 | C50 | C51 | H502 | 120.4° | 120.0° |
| C49 | C50 | C51 | H501 | 120.4° | 120.0° |
| C50 | C49 | C48 | C47 | 179.2° | 180.0° |
| C49 | C50 | C51 | C52 | 180.0° | 180.0° |
| C50 | C49 | C48 | H481 | 60.6° | 60.0° |
| C50 | C49 | C48 | H482 | 58.9° | 60.0° |
| C50 | C49 | H491 | H492 | 118.8° | 120.0° |
| C49 | C50 | H502 | H501 | 118.9° | 120.0° |
| C49 | C50 | C51 | H512 | 59.5° | 60.1° |
| C49 | C50 | C51 | H511 | 59.5° | 60.0° |
| C48 | C49 | C50 | C51 | 66.2° | 180.0° |
| C49 | C48 | C47 | H481 | 120.3° | 120.0° |
| C49 | C48 | C47 | H482 | 120.2° | 120.0° |
| C49 | C48 | C47 | C46 | 167.3° | 180.0° |
| C49 | C48 | C47 | H471 | 46.7° | 60.0° |
| C49 | C48 | C47 | H472 | 72.1° | 60.0° |
| C49 | C48 | H481 | H482 | 119.2° | 120.0° |
| C48 | C49 | H491 | H492 | 118.8° | 120.0° |
| C48 | C49 | C50 | H502 | 173.4° | 60.0° |
| C48 | C49 | C50 | H501 | 54.1° | 60.0° |
| C50 | C51 | C52 | H512 | 120.5° | 119.9° |
| C50 | C51 | C52 | H511 | 120.5° | 120.0° |
| C50 | C51 | C52 | C53 | 171.2° | 180.0° |
| C51 | C50 | C49 | H491 | 173.4° | 60.0° |
| C51 | C50 | C49 | H492 | 54.2° | 60.0° |
| C51 | C50 | H502 | H501 | 118.9° | 120.0° |
| C50 | C51 | H512 | H511 | 118.4° | 120.1° |
| C50 | C51 | C52 | H521 | 68.5° | 60.1° |
| C50 | C51 | C52 | H522 | 51.0° | 60.0° |
| C48 | C47 | C46 | H471 | 120.6° | 120.0° |
| C48 | C47 | C46 | H472 | 120.6° | 120.0° |
| C48 | C47 | C46 | C45 | 51.6° | 180.0° |
| C48 | C47 | C46 | H461 | 68.8° | 60.0° |
| C48 | C47 | C46 | H462 | 172.0° | 60.0° |
| C48 | C47 | H471 | H472 | 118.2° | 120.0° |
| C47 | C48 | H481 | H482 | 119.2° | 120.0° |
| C47 | C48 | C49 | H491 | 58.8° | 60.0° |
| C47 | C48 | C49 | H492 | 60.5° | 60.0° |
| C47 | C46 | C45 | H461 | 120.4° | 120.0° |
| C47 | C46 | C45 | H462 | 120.4° | 119.9° |
| C47 | C46 | C45 | C44 | 155.6° | 180.0° |
| C47 | C46 | C45 | H451 | 35.1° | 60.0° |
| C47 | C46 | C45 | H452 | 83.9° | 60.0° |
| C47 | C46 | H461 | H462 | 118.9° | 119.9° |
| C46 | C47 | H471 | H472 | 118.2° | 120.0° |
| C46 | C47 | C48 | H481 | 72.4° | 60.0° |
| C46 | C47 | C48 | H482 | 47.1° | 60.0° |
| C51 | C52 | C53 | H521 | 120.3° | 120.0° |
| C51 | C52 | C53 | H522 | 120.2° | 120.0° |
| C51 | C52 | C53 | C54 | 125.7° | 180.0° |
| C52 | C51 | C50 | H502 | 59.6° | 60.0° |
| C52 | C51 | C50 | H501 | 59.6° | 60.0° |
| C52 | C51 | H512 | H511 | 118.5° | 120.0° |
| C51 | C52 | H521 | H522 | 119.2° | 120.1° |
| C51 | C52 | C53 | H531 | 5.2° | 60.0° |
| C51 | C52 | C53 | H532 | 113.8° | 60.0° |
| C46 | C45 | C44 | H451 | 120.5° | 120.0° |
| C46 | C45 | C44 | H452 | 120.4° | 119.9° |
| C46 | C45 | C44 | C43 | 171.4° | 180.0° |
| C46 | C45 | C44 | H442 | 68.1° | 60.0° |
| C46 | C45 | C44 | H441 | 50.8° | 60.0° |
| C46 | C45 | H451 | H452 | 118.6° | 120.0° |
| C45 | C46 | H461 | H462 | 118.9° | 120.1° |
| C45 | C46 | C47 | H471 | 172.2° | 60.0° |
| C45 | C46 | C47 | H472 | 69.0° | 60.0° |
| C52 | C53 | C54 | H531 | 120.5° | 120.1° |
| C52 | C53 | C54 | H532 | 120.5° | 120.0° |
| C53 | C52 | C51 | H512 | 50.7° | 60.1° |
| C53 | C52 | C51 | H511 | 68.3° | 60.0° |
| C53 | C52 | H521 | H522 | 119.2° | 120.0° |
| C52 | C53 | H531 | H532 | 118.5° | 120.0° |
| C52 | C53 | C54 | H543 | 180.0° | 60.0° |
| C52 | C53 | C54 | H542 | 60.0° | 180.0° |
| C52 | C53 | C54 | H541 | 60.0° | 59.9° |
| C18 | C17 | C16 | H172 | 120.6° | 120.1° |
| C18 | C17 | C16 | H171 | 120.6° | 120.0° |
| C17 | C18 | C19 | C20 | 151.7° | 126.0° |
| C17 | C18 | C19 | H182 | 119.9° | 120.0° |
| C17 | C18 | C19 | H181 | 119.9° | 120.0° |
| C18 | C17 | C16 | C15 | 41.0° | 180.0° |
| C18 | C17 | H172 | H171 | 118.3° | 120.1° |
| C18 | C17 | C16 | H162 | 79.5° | 60.0° |
| C18 | C17 | C16 | H161 | 161.4° | 60.0° |
| C17 | C18 | H182 | H181 | 120.2° | 120.0° |
| C17 | C18 | C19 | H191 | 28.3° | 54.0° |
| C16 | C17 | C18 | C19 | 132.3° | 180.0° |
| C17 | C16 | C15 | H162 | 120.4° | 120.0° |
| C17 | C16 | C15 | H161 | 120.5° | 120.0° |
| C17 | C16 | C15 | O35 | 102.9° | 0.0° |
| C17 | C16 | C15 | O14 | 76.9° | 180.0° |
| C16 | C17 | H172 | H171 | 118.3° | 119.9° |
| C17 | C16 | H162 | H161 | 118.7° | 120.0° |
| C16 | C17 | C18 | H182 | 12.4° | 60.0° |
| C16 | C17 | C18 | H181 | 107.8° | 60.1° |
| C45 | C44 | C43 | H442 | 120.6° | 120.0° |
| C45 | C44 | C43 | H441 | 120.5° | 120.0° |
| C45 | C44 | C43 | C42 | 29.5° | 180.0° |
| C45 | C44 | C43 | H431 | 150.1° | 60.0° |
| C45 | C44 | C43 | H432 | 91.0° | 60.0° |
| C45 | C44 | H442 | H441 | 118.4° | 120.0° |
| C44 | C45 | H451 | H452 | 118.6° | 120.0° |
| C44 | C45 | C46 | H461 | 84.0° | 60.0° |
| C44 | C45 | C46 | H462 | 35.2° | 60.1° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 151.8° | 126.0° |
| C19 | C20 | C21 | H212 | 31.7° | 114.0° |
| C19 | C20 | C21 | H211 | 88.2° | 6.0° |
| C20 | C19 | C18 | H182 | 88.5° | 6.0° |
| C20 | C19 | C18 | H181 | 31.8° | 114.0° |
| C18 | C19 | C20 | C21 | 0.1° | 7.4° |
| C19 | C18 | C17 | H172 | 11.7° | 60.0° |
| C19 | C18 | C17 | H171 | 107.1° | 60.0° |
| C18 | C19 | C20 | H201 | 179.9° | 172.6° |
| C19 | C18 | H182 | H181 | 120.3° | 120.0° |
| C20 | C21 | C22 | H212 | 120.1° | 119.9° |
| C20 | C21 | C22 | H211 | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 122.8° | 125.9° |
| C20 | C21 | H212 | H211 | 119.9° | 120.0° |
| C20 | C21 | C22 | H221 | 57.2° | 54.2° |
| C21 | C20 | C19 | H191 | 179.9° | 172.6° |
| C54 | C53 | C52 | H521 | 114.0° | 60.0° |
| C54 | C53 | C52 | H522 | 5.5° | 60.0° |
| C54 | C53 | H531 | H532 | 118.5° | 119.9° |
| C53 | C54 | H543 | H542 | 120.0° | 120.0° |
| C53 | C54 | H543 | H541 | 120.0° | 120.0° |
| C53 | C54 | H542 | H541 | 120.0° | 120.1° |
| C16 | C15 | O35 | O14 | 179.8° | 180.0° |
| C16 | C15 | O14 | C13 | 165.8° | 180.0° |
| C15 | C16 | C17 | H172 | 161.5° | 59.9° |
| C15 | C16 | C17 | H171 | 79.6° | 60.0° |
| C15 | C16 | H162 | H161 | 118.7° | 120.0° |
| C44 | C43 | C42 | H431 | 120.5° | 120.0° |
| C44 | C43 | C42 | H432 | 120.5° | 120.0° |
| C44 | C43 | C42 | C41 | 146.9° | 180.0° |
| C44 | C43 | C42 | H422 | 92.5° | 60.0° |
| C44 | C43 | C42 | H421 | 26.3° | 60.0° |
| C44 | C43 | H431 | H432 | 118.4° | 120.0° |
| C43 | C44 | H442 | H441 | 118.4° | 120.0° |
| C43 | C44 | C45 | H451 | 50.9° | 60.0° |
| C43 | C44 | C45 | H452 | 68.2° | 60.0° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 1.9° | 7.9° |
| C22 | C21 | C20 | H201 | 28.2° | 54.0° |
| C22 | C21 | H212 | H211 | 119.8° | 120.1° |
| C21 | C22 | C23 | H231 | 178.0° | 172.1° |
| C05 | N03 | C04 | C06 | 120.6° | 120.0° |
| C05 | N03 | C04 | C02 | 117.8° | 120.0° |
| C05 | N03 | C06 | C02 | 117.8° | 120.0° |
| C05 | N03 | C02 | C01 | 170.5° | 174.7° |
| C05 | N03 | C02 | H022 | 69.0° | 54.6° |
| C05 | N03 | C02 | H021 | 50.0° | 65.3° |
| C05 | N03 | C04 | H043 | 180.0° | 60.0° |
| C05 | N03 | C04 | H042 | 60.0° | 180.0° |
| C05 | N03 | C04 | H041 | 60.0° | 60.0° |
| N03 | C05 | H052 | H051 | 120.0° | 120.0° |
| N03 | C05 | H052 | H053 | 120.0° | 120.1° |
| N03 | C05 | H051 | H053 | 120.0° | 120.0° |
| C05 | N03 | C06 | H062 | 180.0° | 62.4° |
| C05 | N03 | C06 | H061 | 60.0° | 57.6° |
| C05 | N03 | C06 | H063 | 60.0° | 177.6° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 93.9° | 125.9° |
| C23 | C22 | C21 | H212 | 2.7° | 6.0° |
| C23 | C22 | C21 | H211 | 117.1° | 114.1° |
| C22 | C23 | C24 | H242 | 25.5° | 114.1° |
| C22 | C23 | C24 | H241 | 146.7° | 5.9° |
| C04 | N03 | C06 | C02 | 122.3° | 120.0° |
| C04 | N03 | C02 | C01 | 51.6° | 54.6° |
| C04 | N03 | C02 | H022 | 172.1° | 65.4° |
| C04 | N03 | C02 | H021 | 68.9° | 174.6° |
| N03 | C04 | H043 | H042 | 120.0° | 120.1° |
| N03 | C04 | H043 | H041 | 120.0° | 120.0° |
| N03 | C04 | H042 | H041 | 120.0° | 120.1° |
| C04 | N03 | C05 | H052 | 180.0° | 60.0° |
| C04 | N03 | C05 | H051 | 60.0° | 180.0° |
| C04 | N03 | C05 | H053 | 60.0° | 60.0° |
| C04 | N03 | C06 | H062 | 60.1° | 57.6° |
| C04 | N03 | C06 | H061 | 59.9° | 177.6° |
| C04 | N03 | C06 | H063 | 179.9° | 62.4° |
| C06 | N03 | C02 | C01 | 69.9° | 65.3° |
| C06 | N03 | C02 | H022 | 50.7° | 174.6° |
| C06 | N03 | C02 | H021 | 169.7° | 54.7° |
| C06 | N03 | C04 | H043 | 59.4° | 60.0° |
| C06 | N03 | C04 | H042 | 179.4° | 60.0° |
| C06 | N03 | C04 | H041 | 60.6° | 180.0° |
| C06 | N03 | C05 | H052 | 59.7° | 180.0° |
| C06 | N03 | C05 | H051 | 60.3° | 60.0° |
| C06 | N03 | C05 | H053 | 179.7° | 60.0° |
| N03 | C06 | H062 | H061 | 120.0° | 120.0° |
| N03 | C06 | H062 | H063 | 120.1° | 120.0° |
| N03 | C06 | H061 | H063 | 120.0° | 120.0° |
| N03 | C02 | C01 | H022 | 120.5° | 120.1° |
| N03 | C02 | C01 | H021 | 120.5° | 120.0° |
| N03 | C02 | C01 | O07 | 96.8° | 174.8° |
| N03 | C02 | C01 | H012 | 22.7° | 65.2° |
| N03 | C02 | C01 | H011 | 143.7° | 54.8° |
| N03 | C02 | H022 | H021 | 118.4° | 120.0° |
| C02 | N03 | C04 | H043 | 62.2° | 180.0° |
| C02 | N03 | C04 | H042 | 57.8° | 60.0° |
| C02 | N03 | C04 | H041 | 177.8° | 60.0° |
| C02 | N03 | C05 | H052 | 59.8° | 60.0° |
| C02 | N03 | C05 | H051 | 179.8° | 60.0° |
| C02 | N03 | C05 | H053 | 60.2° | 180.0° |
| C02 | N03 | C06 | H062 | 62.2° | 177.6° |
| C02 | N03 | C06 | H061 | 177.9° | 62.4° |
| C02 | N03 | C06 | H063 | 57.9° | 57.6° |
| O35 | C15 | O14 | C13 | 14.5° | 0.0° |
| O35 | C15 | C16 | H162 | 136.7° | 120.0° |
| O35 | C15 | C16 | H161 | 17.6° | 120.0° |
| C15 | O14 | C13 | C12 | 81.0° | 90.0° |
| C15 | O14 | C13 | C36 | 159.2° | 150.0° |
| C15 | O14 | C13 | H131 | 40.7° | 30.0° |
| O14 | C15 | C16 | H162 | 43.5° | 60.0° |
| O14 | C15 | C16 | H161 | 162.6° | 60.0° |
| C43 | C42 | C41 | H422 | 120.6° | 120.0° |
| C43 | C42 | C41 | H421 | 120.6° | 120.0° |
| C43 | C42 | C41 | C40 | 60.4° | 180.0° |
| C43 | C42 | C41 | H412 | 179.2° | 60.0° |
| C43 | C42 | C41 | H411 | 59.9° | 60.0° |
| C43 | C42 | H422 | H421 | 118.2° | 120.0° |
| C42 | C43 | H431 | H432 | 118.4° | 120.0° |
| C42 | C43 | C44 | H442 | 91.0° | 60.0° |
| C42 | C43 | C44 | H441 | 150.1° | 60.0° |
| C42 | C41 | C40 | H412 | 120.3° | 120.0° |
| C42 | C41 | C40 | H411 | 120.3° | 120.1° |
| C42 | C41 | C40 | C38 | 76.7° | 180.0° |
| C42 | C41 | C40 | H402 | 163.0° | 60.0° |
| C42 | C41 | C40 | H401 | 43.5° | 59.9° |
| C42 | C41 | H412 | H411 | 118.9° | 120.1° |
| C41 | C42 | H422 | H421 | 118.2° | 120.1° |
| C41 | C42 | C43 | H431 | 26.4° | 60.0° |
| C41 | C42 | C43 | H432 | 92.6° | 60.0° |
| C23 | C24 | C25 | H242 | 119.4° | 120.0° |
| C23 | C24 | C25 | H241 | 119.4° | 120.0° |
| C23 | C24 | C25 | C26 | 157.7° | 125.9° |
| C24 | C23 | C22 | H221 | 178.1° | 172.0° |
| C23 | C24 | H242 | H241 | 121.7° | 120.0° |
| C23 | C24 | C25 | H251 | 22.3° | 54.1° |
| O14 | C13 | C12 | C36 | 116.8° | 120.0° |
| O14 | C13 | C12 | H131 | 122.8° | 119.9° |
| O14 | C13 | C36 | H131 | 119.8° | 119.9° |
| O14 | C13 | C12 | O11 | 168.2° | 64.6° |
| O14 | C13 | C36 | O37 | 83.2° | 64.6° |
| O14 | C13 | C12 | H122 | 48.9° | 175.3° |
| O14 | C13 | C12 | H121 | 72.4° | 55.4° |
| O14 | C13 | C36 | H362 | 157.1° | 55.3° |
| O14 | C13 | C36 | H361 | 36.5° | 175.3° |
| C02 | C01 | O07 | H012 | 119.5° | 119.9° |
| C02 | C01 | O07 | H011 | 119.5° | 120.0° |
| C02 | C01 | O07 | P08 | 162.5° | 175.1° |
| C02 | C01 | H012 | H011 | 121.4° | 120.0° |
| C01 | C02 | H022 | H021 | 118.5° | 119.9° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.5° | 8.0° |
| C25 | C24 | H242 | H241 | 121.7° | 120.0° |
| C24 | C25 | C26 | H261 | 179.5° | 172.0° |
| C25 | C24 | C23 | H231 | 86.1° | 54.0° |
| C01 | O07 | P08 | O11 | 57.9° | 173.5° |
| C01 | O07 | P08 | O09 | 178.0° | 53.5° |
| C01 | O07 | P08 | O10 | 61.5° | 66.5° |
| O07 | C01 | H012 | H011 | 121.4° | 120.1° |
| O07 | C01 | C02 | H022 | 142.7° | 65.1° |
| O07 | C01 | C02 | H021 | 23.7° | 54.8° |
| C41 | C40 | C38 | O39 | 25.4° | 5.2° |
| C41 | C40 | C38 | H402 | 120.2° | 119.9° |
| C41 | C40 | C38 | H401 | 120.3° | 120.0° |
| C41 | C40 | C38 | O37 | 155.3° | 174.7° |
| C41 | C40 | H402 | H401 | 119.3° | 120.0° |
| C40 | C41 | H412 | H411 | 118.9° | 120.0° |
| C40 | C41 | C42 | H422 | 60.1° | 60.1° |
| C40 | C41 | C42 | H421 | 179.0° | 60.0° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 94.4° | 125.9° |
| C26 | C25 | C24 | H242 | 82.9° | 5.9° |
| C26 | C25 | C24 | H241 | 38.3° | 114.1° |
| C25 | C26 | C27 | H271 | 145.9° | 114.1° |
| C25 | C26 | C27 | H272 | 25.4° | 5.9° |
| C12 | C13 | C36 | H131 | 120.4° | 120.1° |
| C13 | C12 | O11 | H122 | 119.4° | 120.0° |
| C13 | C12 | O11 | H121 | 119.4° | 120.0° |
| C12 | C13 | C36 | O37 | 157.0° | 55.4° |
| C13 | C12 | O11 | P08 | 155.0° | 175.0° |
| C13 | C12 | H122 | H121 | 121.8° | 120.0° |
| C12 | C13 | C36 | H362 | 37.3° | 175.4° |
| C12 | C13 | C36 | H361 | 83.4° | 64.7° |
| C36 | C13 | C12 | O11 | 74.9° | 55.4° |
| C13 | C36 | O37 | C38 | 120.2° | 175.2° |
| C13 | C36 | O37 | H362 | 119.7° | 120.0° |
| C13 | C36 | O37 | H361 | 119.7° | 120.0° |
| C36 | C13 | C12 | H122 | 165.7° | 64.7° |
| C36 | C13 | C12 | H121 | 44.5° | 175.4° |
| C13 | C36 | H362 | H361 | 120.9° | 120.0° |
| C12 | O11 | P08 | O07 | 52.3° | 173.6° |
| C12 | O11 | P08 | O09 | 67.1° | 53.5° |
| C12 | O11 | P08 | O10 | 172.3° | 66.4° |
| O11 | C12 | C13 | H131 | 45.5° | 175.4° |
| O11 | C12 | H122 | H121 | 121.8° | 120.0° |
| O07 | P08 | O11 | O09 | 119.3° | 120.0° |
| O07 | P08 | O11 | O10 | 120.1° | 120.0° |
| O07 | P08 | O09 | O10 | 120.1° | 120.0° |
| P08 | O07 | C01 | H012 | 78.0° | 65.0° |
| P08 | O07 | C01 | H011 | 42.9° | 55.1° |
| O07 | P08 | O10 | H1 | 119.4° | 60.0° |
| O39 | C38 | C40 | O37 | 179.3° | 180.0° |
| O39 | C38 | O37 | C36 | 15.9° | 5.2° |
| O39 | C38 | C40 | H402 | 94.8° | 114.7° |
| O39 | C38 | C40 | H401 | 145.7° | 125.2° |
| C40 | C38 | O37 | C36 | 164.8° | 174.8° |
| C38 | C40 | H402 | H401 | 119.3° | 120.1° |
| C38 | C40 | C41 | H412 | 43.6° | 60.0° |
| C38 | C40 | C41 | H411 | 162.9° | 59.9° |
| C38 | O37 | C36 | H362 | 120.1° | 64.9° |
| C38 | O37 | C36 | H361 | 0.6° | 55.1° |
| O37 | C38 | C40 | H402 | 84.5° | 65.3° |
| O37 | C38 | C40 | H401 | 35.0° | 54.7° |
| O37 | C36 | C13 | H131 | 36.6° | 175.5° |
| O37 | C36 | H362 | H361 | 120.9° | 120.0° |
| C26 | C27 | C28 | H271 | 119.7° | 120.0° |
| C26 | C27 | C28 | H272 | 119.7° | 120.0° |
| C26 | C27 | C28 | C29 | 173.7° | 128.7° |
| C26 | C27 | C28 | H281 | 6.3° | 51.2° |
| C27 | C26 | C25 | H251 | 179.5° | 172.0° |
| C26 | C27 | H271 | H272 | 120.8° | 120.0° |
| O11 | P08 | O09 | O10 | 119.6° | 120.0° |
| P08 | O11 | C12 | H122 | 35.6° | 65.0° |
| P08 | O11 | C12 | H121 | 85.6° | 55.0° |
| O11 | P08 | O10 | H1 | 120.3° | 60.0° |
| O09 | P08 | O10 | H1 | 0.0° | 180.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.3° | 8.1° |
| C28 | C27 | C26 | H261 | 85.6° | 54.1° |
| C28 | C27 | H271 | H272 | 120.8° | 120.0° |
| C27 | C28 | C29 | H291 | 179.7° | 171.9° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 140.3° | 128.7° |
| C29 | C28 | C27 | H271 | 54.0° | 8.7° |
| C29 | C28 | C27 | H272 | 66.6° | 111.3° |
| C28 | C29 | C30 | H302 | 20.1° | 111.3° |
| C28 | C29 | C30 | H301 | 99.5° | 8.7° |
| C29 | C30 | C31 | H302 | 120.2° | 120.0° |
| C29 | C30 | C31 | H301 | 120.1° | 120.0° |
| C29 | C30 | C31 | C32 | 50.6° | 180.0° |
| C30 | C29 | C28 | H281 | 179.7° | 172.0° |
| C29 | C30 | H302 | H301 | 119.5° | 120.0° |
| C29 | C30 | C31 | H311 | 69.9° | 60.0° |
| C29 | C30 | C31 | H312 | 171.2° | 60.0° |
| C30 | C31 | C32 | H311 | 120.5° | 120.0° |
| C30 | C31 | C32 | H312 | 120.6° | 119.9° |
| C30 | C31 | C32 | C33 | 66.1° | 180.0° |
| C31 | C30 | C29 | H291 | 39.7° | 51.3° |
| C31 | C30 | H302 | H301 | 119.6° | 120.0° |
| C30 | C31 | H311 | H312 | 118.3° | 120.0° |
| C30 | C31 | C32 | H321 | 54.1° | 60.0° |
| C30 | C31 | C32 | H322 | 173.6° | 60.0° |
| C34 | C33 | C32 | C31 | 94.6° | 180.0° |
| C34 | C33 | C32 | H331 | 120.2° | 120.0° |
| C34 | C33 | C32 | H332 | 120.2° | 120.0° |
| C34 | C33 | C32 | H321 | 25.6° | 60.0° |
| C34 | C33 | C32 | H322 | 145.1° | 60.0° |
| C34 | C33 | H331 | H332 | 119.3° | 120.0° |
| C33 | C34 | H342 | H341 | 120.0° | 120.0° |
| C33 | C34 | H342 | H343 | 120.0° | 120.0° |
| C33 | C34 | H341 | H343 | 120.0° | 120.0° |
| C31 | C32 | C33 | H321 | 120.3° | 120.0° |
| C31 | C32 | C33 | H322 | 120.3° | 120.0° |
| C32 | C31 | C30 | H302 | 170.8° | 60.0° |
| C32 | C31 | C30 | H301 | 69.5° | 60.0° |
| C32 | C31 | H311 | H312 | 118.3° | 120.0° |
| C31 | C32 | H321 | H322 | 119.3° | 120.0° |
| C31 | C32 | C33 | H331 | 25.6° | 60.0° |
| C31 | C32 | C33 | H332 | 145.2° | 60.0° |
| C33 | C32 | C31 | H311 | 173.3° | 60.0° |
| C33 | C32 | C31 | H312 | 54.4° | 60.0° |
| C33 | C32 | H321 | H322 | 119.3° | 120.0° |
| C32 | C33 | H331 | H332 | 119.3° | 120.0° |
| C32 | C33 | C34 | H342 | 180.0° | 60.0° |
| C32 | C33 | C34 | H341 | 60.0° | 180.0° |
| C32 | C33 | C34 | H343 | 60.0° | 60.0° |
| H131 | C13 | C12 | H122 | 73.9° | 55.4° |
| H131 | C13 | C12 | H121 | 164.9° | 64.6° |
| H131 | C13 | C36 | H362 | 83.1° | 64.6° |
| H131 | C13 | C36 | H361 | 156.3° | 55.4° |
| H172 | C17 | C16 | H162 | 41.1° | 179.9° |
| H172 | C17 | C16 | H161 | 78.0° | 60.1° |
| H172 | C17 | C18 | H182 | 108.2° | 180.0° |
| H172 | C17 | C18 | H181 | 131.6° | 59.9° |
| H171 | C17 | C16 | H162 | 160.0° | 60.0° |
| H171 | C17 | C16 | H161 | 40.8° | 180.0° |
| H171 | C17 | C18 | H182 | 133.0° | 59.9° |
| H171 | C17 | C18 | H181 | 12.8° | 180.0° |
| H201 | C20 | C21 | H212 | 148.3° | 65.9° |
| H201 | C20 | C21 | H211 | 91.8° | 174.0° |
| H201 | C20 | C19 | H191 | 0.1° | 7.5° |
| H212 | C21 | C22 | H221 | 177.3° | 174.1° |
| H211 | C21 | C22 | H221 | 62.8° | 65.9° |
| H221 | C22 | C23 | H231 | 2.0° | 8.0° |
| H242 | C24 | C23 | H231 | 154.5° | 66.0° |
| H242 | C24 | C25 | H251 | 97.2° | 174.1° |
| H241 | C24 | C23 | H231 | 33.3° | 174.1° |
| H241 | C24 | C25 | H251 | 141.7° | 65.9° |
| H261 | C26 | C25 | H251 | 0.5° | 8.0° |
| H261 | C26 | C27 | H271 | 34.1° | 66.0° |
| H261 | C26 | C27 | H272 | 154.6° | 174.1° |
| H281 | C28 | C27 | H271 | 126.0° | 171.3° |
| H281 | C28 | C27 | H272 | 113.4° | 68.8° |
| H281 | C28 | C29 | H291 | 0.3° | 8.0° |
| H012 | C01 | C02 | H022 | 97.8° | 54.9° |
| H012 | C01 | C02 | H021 | 143.2° | 174.8° |
| H011 | C01 | C02 | H022 | 23.2° | 174.9° |
| H011 | C01 | C02 | H021 | 95.8° | 65.2° |
| H043 | C04 | H042 | H041 | 120.0° | 119.9° |
| H052 | C05 | H051 | H053 | 120.0° | 119.9° |
| H062 | C06 | H061 | H063 | 120.0° | 120.0° |
| H182 | C18 | C19 | H191 | 91.6° | 174.0° |
| H181 | C18 | C19 | H191 | 148.2° | 65.9° |
| H291 | C29 | C30 | H302 | 159.9° | 68.7° |
| H291 | C29 | C30 | H301 | 80.5° | 171.2° |
| H302 | C30 | C31 | H311 | 50.3° | 180.0° |
| H302 | C30 | C31 | H312 | 68.6° | 60.0° |
| H301 | C30 | C31 | H311 | 169.9° | 60.0° |
| H301 | C30 | C31 | H312 | 51.1° | 180.0° |
| H311 | C31 | C32 | H321 | 66.4° | 180.0° |
| H311 | C31 | C32 | H322 | 53.1° | 60.0° |
| H312 | C31 | C32 | H321 | 174.7° | 60.0° |
| H312 | C31 | C32 | H322 | 65.8° | 180.0° |
| H321 | C32 | C33 | H331 | 145.9° | 180.0° |
| H321 | C32 | C33 | H332 | 94.6° | 60.0° |
| H322 | C32 | C33 | H331 | 94.6° | 60.0° |
| H322 | C32 | C33 | H332 | 24.9° | 180.0° |
| H331 | C33 | C34 | H342 | 59.7° | 60.0° |
| H331 | C33 | C34 | H341 | 60.2° | 60.0° |
| H331 | C33 | C34 | H343 | 179.8° | 180.0° |
| H332 | C33 | C34 | H342 | 59.8° | 180.0° |
| H332 | C33 | C34 | H341 | 179.7° | 60.0° |
| H332 | C33 | C34 | H343 | 60.3° | 60.0° |
| H342 | C34 | H341 | H343 | 120.0° | 120.0° |
| H402 | C40 | C41 | H412 | 76.6° | 180.0° |
| H402 | C40 | C41 | H411 | 42.7° | 60.0° |
| H401 | C40 | C41 | H412 | 163.8° | 60.0° |
| H401 | C40 | C41 | H411 | 76.8° | 180.0° |
| H412 | C41 | C42 | H422 | 60.2° | NaN° |
| H412 | C41 | C42 | H421 | 58.6° | 60.0° |
| H411 | C41 | C42 | H422 | 179.5° | 60.0° |
| H411 | C41 | C42 | H421 | 60.7° | 180.0° |
| H422 | C42 | C43 | H431 | 147.0° | 180.0° |
| H422 | C42 | C43 | H432 | 28.0° | 60.0° |
| H421 | C42 | C43 | H431 | 94.2° | 60.0° |
| H421 | C42 | C43 | H432 | 146.8° | 180.0° |
| H431 | C43 | C44 | H442 | 29.5° | 180.0° |
| H431 | C43 | C44 | H441 | 89.4° | 60.0° |
| H432 | C43 | C44 | H442 | 148.5° | 60.0° |
| H432 | C43 | C44 | H441 | 29.6° | 180.0° |
| H442 | C44 | C45 | H451 | 171.4° | 180.0° |
| H442 | C44 | C45 | H452 | 52.3° | 60.0° |
| H441 | C44 | C45 | H451 | 69.7° | 60.0° |
| H441 | C44 | C45 | H452 | 171.3° | 180.0° |
| H451 | C45 | C46 | H461 | 155.5° | 180.0° |
| H451 | C45 | C46 | H462 | 85.2° | 59.9° |
| H452 | C45 | C46 | H461 | 36.5° | 59.9° |
| H452 | C45 | C46 | H462 | 155.7° | 179.9° |
| H461 | C46 | C47 | H471 | 51.8° | 180.0° |
| H461 | C46 | C47 | H472 | 170.7° | 60.0° |
| H462 | C46 | C47 | H471 | 67.4° | 60.0° |
| H462 | C46 | C47 | H472 | 51.4° | 180.0° |
| H471 | C47 | C48 | H481 | 167.0° | 180.0° |
| H471 | C47 | C48 | H482 | 73.5° | 60.0° |
| H472 | C47 | C48 | H481 | 48.2° | 60.0° |
| H472 | C47 | C48 | H482 | 167.7° | 180.0° |
| H481 | C48 | C49 | H491 | 179.0° | 180.0° |
| H481 | C48 | C49 | H492 | 59.8° | 60.0° |
| H482 | C48 | C49 | H491 | 61.5° | 60.1° |
| H482 | C48 | C49 | H492 | 179.3° | 180.0° |
| H491 | C49 | C50 | H502 | 53.0° | 179.9° |
| H491 | C49 | C50 | H501 | 66.2° | 60.0° |
| H492 | C49 | C50 | H502 | 66.2° | 60.0° |
| H492 | C49 | C50 | H501 | 174.5° | 180.0° |
| H502 | C50 | C51 | H512 | 179.9° | 179.9° |
| H502 | C50 | C51 | H511 | 60.9° | 60.0° |
| H501 | C50 | C51 | H512 | 60.9° | 59.9° |
| H501 | C50 | C51 | H511 | 179.9° | 180.0° |
| H512 | C51 | C52 | H521 | 171.0° | 180.0° |
| H512 | C51 | C52 | H522 | 69.5° | 59.9° |
| H511 | C51 | C52 | H521 | 52.0° | 60.0° |
| H511 | C51 | C52 | H522 | 171.5° | 180.0° |
| H521 | C52 | C53 | H531 | 125.5° | 180.0° |
| H521 | C52 | C53 | H532 | 6.5° | 60.0° |
| H522 | C52 | C53 | H531 | 115.0° | 60.1° |
| H522 | C52 | C53 | H532 | 126.0° | 180.0° |
| H531 | C53 | C54 | H543 | 59.5° | 60.1° |
| H531 | C53 | C54 | H542 | 179.5° | 59.9° |
| H531 | C53 | C54 | H541 | 60.5° | 180.0° |
| H532 | C53 | C54 | H543 | 59.5° | 180.0° |
| H532 | C53 | C54 | H542 | 60.5° | 60.0° |
| H532 | C53 | C54 | H541 | 179.5° | 60.1° |
| H543 | C54 | H542 | H541 | 120.0° | 119.9° |
