A1D5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C59 | C58 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C58 | C57 | sing | 1.53Å | 1.55Å | |
| C57 | C56 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C56 | C55 | sing | 1.53Å | 1.55Å | |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C55 | C54 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C54 | C53 | sing | 1.53Å | 1.55Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C53 | C52 | sing | 1.53Å | 1.56Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C52 | C51 | sing | 1.51Å | 1.56Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C51 | C50 | doub | 1.31Å | 1.36Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C49 | C50 | sing | 1.51Å | 1.56Å | |
| C49 | C48 | sing | 1.53Å | 1.55Å | |
| O27 | P25 | doub | 1.48Å | 1.51Å | |
| C43 | C44 | sing | 1.53Å | 1.56Å | |
| C43 | C41 | sing | 1.51Å | 1.54Å | |
| C44 | C45 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C47 | C48 | sing | 1.53Å | 1.54Å | |
| C47 | C46 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| O26 | P25 | sing | 1.61Å | 1.51Å | |
| P25 | O24 | sing | 1.61Å | 1.68Å | |
| P25 | O28 | sing | 1.61Å | 1.65Å | |
| O24 | C23 | sing | 1.43Å | 1.43Å | |
| C41 | O42 | doub | 1.21Å | 1.18Å | |
| C41 | O40 | sing | 1.34Å | 1.42Å | |
| C46 | C45 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| O40 | C22 | sing | 1.45Å | 1.41Å | |
| O28 | C29 | sing | 1.43Å | 1.42Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C21 | O20 | sing | 1.45Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| O31 | C30 | sing | 1.43Å | 1.40Å | |
| C29 | C38 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| O37 | C36 | sing | 1.43Å | 1.41Å | |
| O19 | C18 | doub | 1.21Å | 1.18Å | |
| O20 | C18 | sing | 1.34Å | 1.42Å | |
| C18 | C17 | sing | 1.51Å | 1.56Å | |
| C38 | C36 | sing | 1.53Å | 1.54Å | |
| C38 | O39 | sing | 1.43Å | 1.40Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C36 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | O33 | sing | 1.43Å | 1.41Å | |
| C34 | O35 | sing | 1.43Å | 1.41Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | 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 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | 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 | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| O26 | H3 | sing | 0.97Å | 0.95Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| O33 | H331 | sing | 0.97Å | 0.95Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| O35 | H351 | sing | 0.97Å | 0.95Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| O37 | H371 | sing | 0.97Å | 0.95Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| O39 | H391 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | 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 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C59 | H593 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C59 | C58 | C57 | 113.4° | 109.5° |
| C59 | C58 | H581 | 108.5° | 109.5° |
| C59 | C58 | H582 | 108.5° | 109.5° |
| C58 | C59 | H591 | 109.5° | 109.5° |
| C58 | C59 | H592 | 109.5° | 109.4° |
| C58 | C59 | H593 | 109.5° | 109.5° |
| C03 | C04 | C05 | 115.3° | 109.5° |
| C04 | C03 | H031 | 109.5° | 109.5° |
| C04 | C03 | H013 | 109.5° | 109.5° |
| C04 | C03 | H032 | 109.5° | 109.5° |
| C03 | C04 | H042 | 108.0° | 109.5° |
| C03 | C04 | H041 | 108.0° | 109.5° |
| C58 | C57 | C56 | 113.8° | 109.5° |
| C58 | C57 | H571 | 108.4° | 109.5° |
| C58 | C57 | H572 | 108.4° | 109.5° |
| C57 | C58 | H581 | 108.5° | 109.5° |
| C57 | C58 | H582 | 108.5° | 109.4° |
| C57 | C56 | C55 | 112.4° | 109.5° |
| C57 | C56 | H561 | 108.7° | 109.5° |
| C57 | C56 | H562 | 108.7° | 109.5° |
| C56 | C57 | H571 | 108.4° | 109.5° |
| C56 | C57 | H572 | 108.4° | 109.5° |
| C04 | C05 | C06 | 115.2° | 109.5° |
| C05 | C04 | H042 | 108.0° | 109.5° |
| C05 | C04 | H041 | 108.0° | 109.4° |
| C04 | C05 | H052 | 108.1° | 109.5° |
| C04 | C05 | H051 | 108.0° | 109.5° |
| C56 | C55 | C54 | 113.1° | 109.5° |
| C56 | C55 | H551 | 108.6° | 109.4° |
| C56 | C55 | H552 | 108.6° | 109.5° |
| C55 | C56 | H561 | 108.7° | 109.5° |
| C55 | C56 | H562 | 108.7° | 109.5° |
| C05 | C06 | C07 | 114.0° | 109.5° |
| C06 | C05 | H052 | 108.0° | 109.5° |
| C06 | C05 | H051 | 108.0° | 109.5° |
| C05 | C06 | H062 | 108.3° | 109.5° |
| C05 | C06 | H061 | 108.3° | 109.4° |
| C55 | C54 | C53 | 112.7° | 109.4° |
| C55 | C54 | H542 | 108.6° | 109.4° |
| C55 | C54 | H541 | 108.6° | 109.5° |
| C54 | C55 | H551 | 108.5° | 109.5° |
| C54 | C55 | H552 | 108.6° | 109.5° |
| C06 | C07 | C08 | 115.8° | 109.5° |
| C07 | C06 | H062 | 108.3° | 109.5° |
| C07 | C06 | H061 | 108.3° | 109.5° |
| C06 | C07 | H072 | 107.9° | 109.5° |
| C06 | C07 | H071 | 107.9° | 109.4° |
| C07 | C08 | C09 | 116.9° | 109.5° |
| C08 | C07 | H072 | 107.9° | 109.5° |
| C08 | C07 | H071 | 107.9° | 109.5° |
| C07 | C08 | H082 | 107.6° | 109.5° |
| C07 | C08 | H081 | 107.6° | 109.5° |
| C54 | C53 | C52 | 111.7° | 109.5° |
| C54 | C53 | H532 | 108.9° | 109.5° |
| C54 | C53 | H531 | 108.9° | 109.5° |
| C53 | C54 | H542 | 108.7° | 109.5° |
| C53 | C54 | H541 | 108.7° | 109.4° |
| C08 | C09 | C10 | 110.6° | 109.4° |
| C09 | C08 | H082 | 107.6° | 109.5° |
| C09 | C08 | H081 | 107.6° | 109.5° |
| C08 | C09 | H091 | 109.2° | 109.5° |
| C08 | C09 | H1 | 109.2° | 109.5° |
| C53 | C52 | C51 | 113.0° | 109.5° |
| C53 | C52 | H521 | 108.6° | 109.5° |
| C53 | C52 | H522 | 108.6° | 109.5° |
| C52 | C53 | H532 | 108.9° | 109.5° |
| C52 | C53 | H531 | 108.9° | 109.4° |
| C09 | C10 | C11 | 114.0° | 109.4° |
| C09 | C10 | H101 | 108.3° | 109.5° |
| C09 | C10 | H2 | 108.3° | 109.5° |
| C10 | C09 | H091 | 109.2° | 109.5° |
| C10 | C09 | H1 | 109.2° | 109.5° |
| C52 | C51 | C50 | 134.2° | 120.0° |
| C52 | C51 | H511 | 112.9° | 120.0° |
| C51 | C52 | H521 | 108.6° | 109.5° |
| C51 | C52 | H522 | 108.6° | 109.4° |
| C10 | C11 | C12 | 113.4° | 109.5° |
| C11 | C10 | H101 | 108.3° | 109.5° |
| C11 | C10 | H2 | 108.3° | 109.5° |
| C10 | C11 | H111 | 108.5° | 109.5° |
| C10 | C11 | H112 | 108.5° | 109.5° |
| C51 | C50 | C49 | 124.1° | 120.0° |
| C51 | C50 | H501 | 117.9° | 120.0° |
| C50 | C51 | H511 | 112.9° | 120.0° |
| C11 | C12 | C13 | 112.1° | 109.5° |
| C12 | C11 | H111 | 108.5° | 109.5° |
| C12 | C11 | H112 | 108.5° | 109.4° |
| C11 | C12 | H122 | 108.8° | 109.4° |
| C11 | C12 | H121 | 108.8° | 109.5° |
| C12 | C13 | C14 | 113.5° | 109.5° |
| C12 | C13 | H132 | 108.5° | 109.4° |
| C12 | C13 | H131 | 108.5° | 109.5° |
| C13 | C12 | H122 | 108.8° | 109.5° |
| C13 | C12 | H121 | 108.8° | 109.5° |
| C50 | C49 | C48 | 110.9° | 109.5° |
| C50 | C49 | H492 | 109.1° | 109.4° |
| C50 | C49 | H491 | 109.1° | 109.5° |
| C49 | C50 | H501 | 118.0° | 120.0° |
| C49 | C48 | C47 | 111.6° | 109.5° |
| C49 | C48 | H481 | 109.0° | 109.5° |
| C49 | C48 | H482 | 108.9° | 109.5° |
| C48 | C49 | H492 | 109.1° | 109.4° |
| C48 | C49 | H491 | 109.1° | 109.5° |
| O27 | P25 | O26 | 108.3° | 109.5° |
| O27 | P25 | O24 | 107.7° | 109.5° |
| O27 | P25 | O28 | 108.4° | 109.5° |
| C44 | C43 | C41 | 112.0° | 109.5° |
| C43 | C44 | C45 | 113.4° | 109.5° |
| C44 | C43 | H431 | 108.8° | 109.5° |
| C44 | C43 | H432 | 108.8° | 109.4° |
| C43 | C44 | H441 | 108.5° | 109.5° |
| C43 | C44 | H442 | 108.4° | 109.5° |
| C43 | C41 | O42 | 118.5° | 120.0° |
| C43 | C41 | O40 | 119.3° | 120.0° |
| C41 | C43 | H431 | 108.8° | 109.5° |
| C41 | C43 | H432 | 108.8° | 109.5° |
| C44 | C45 | C46 | 111.3° | 109.5° |
| C45 | C44 | H441 | 108.4° | 109.5° |
| C45 | C44 | H442 | 108.5° | 109.5° |
| C44 | C45 | H452 | 109.0° | 109.4° |
| C44 | C45 | H451 | 109.0° | 109.5° |
| C13 | C14 | C15 | 112.9° | 109.5° |
| C14 | C13 | H132 | 108.5° | 109.4° |
| C14 | C13 | H131 | 108.5° | 109.5° |
| C13 | C14 | H142 | 108.6° | 109.4° |
| C13 | C14 | H141 | 108.6° | 109.5° |
| C48 | C47 | C46 | 112.1° | 109.4° |
| C48 | C47 | H471 | 108.8° | 109.5° |
| C48 | C47 | H472 | 108.8° | 109.5° |
| C47 | C48 | H481 | 108.9° | 109.5° |
| C47 | C48 | H482 | 108.9° | 109.4° |
| C47 | C46 | C45 | 112.1° | 109.5° |
| C47 | C46 | H461 | 108.8° | 109.5° |
| C47 | C46 | H462 | 108.8° | 109.5° |
| C46 | C47 | H471 | 108.8° | 109.5° |
| C46 | C47 | H472 | 108.8° | 109.4° |
| C14 | C15 | C16 | 115.1° | 109.5° |
| C14 | C15 | H152 | 108.0° | 109.5° |
| C14 | C15 | H151 | 108.0° | 109.5° |
| C15 | C14 | H142 | 108.6° | 109.5° |
| C15 | C14 | H141 | 108.6° | 109.5° |
| O26 | P25 | O24 | 111.4° | 109.5° |
| O26 | P25 | O28 | 110.5° | 109.5° |
| P25 | O26 | H3 | 109.5° | 114.0° |
| O24 | P25 | O28 | 110.3° | 109.5° |
| P25 | O24 | C23 | 125.4° | 123.0° |
| P25 | O28 | C29 | 121.0° | 123.0° |
| O24 | C23 | C22 | 110.4° | 109.5° |
| O24 | C23 | H232 | 109.3° | 109.5° |
| O24 | C23 | H231 | 109.2° | 109.5° |
| O42 | C41 | O40 | 122.1° | 120.0° |
| C41 | O40 | C22 | 120.4° | 117.0° |
| C46 | C45 | H452 | 109.0° | 109.5° |
| C46 | C45 | H451 | 109.0° | 109.4° |
| C45 | C46 | H461 | 108.8° | 109.5° |
| C45 | C46 | H462 | 108.8° | 109.4° |
| C23 | C22 | O40 | 112.3° | 109.4° |
| C23 | C22 | C21 | 109.7° | 109.4° |
| C23 | C22 | H221 | 109.2° | 109.5° |
| C22 | C23 | H232 | 109.2° | 109.5° |
| C22 | C23 | H231 | 109.3° | 109.5° |
| O40 | C22 | C21 | 104.6° | 109.5° |
| O40 | C22 | H221 | 111.3° | 109.5° |
| O28 | C29 | C38 | 111.5° | 109.5° |
| O28 | C29 | C30 | 105.6° | 109.4° |
| O28 | C29 | H291 | 109.5° | 109.4° |
| C22 | C21 | O20 | 113.1° | 109.5° |
| C22 | C21 | H212 | 108.5° | 109.4° |
| C22 | C21 | H211 | 108.6° | 109.5° |
| C21 | C22 | H221 | 109.6° | 109.5° |
| C15 | C16 | C17 | 115.2° | 109.5° |
| C16 | C15 | H152 | 108.0° | 109.4° |
| C16 | C15 | H151 | 108.0° | 109.5° |
| C15 | C16 | H161 | 108.0° | 109.4° |
| C15 | C16 | H162 | 108.1° | 109.5° |
| C21 | O20 | C18 | 113.8° | 117.0° |
| O20 | C21 | H212 | 108.6° | 109.4° |
| O20 | C21 | H211 | 108.5° | 109.5° |
| C16 | C17 | C18 | 113.2° | 109.5° |
| C16 | C17 | H171 | 108.5° | 109.5° |
| C16 | C17 | H172 | 108.5° | 109.5° |
| C17 | C16 | H161 | 108.0° | 109.5° |
| C17 | C16 | H162 | 108.0° | 109.5° |
| O31 | C30 | C29 | 106.5° | 109.5° |
| O31 | C30 | C32 | 108.4° | 109.5° |
| O31 | C30 | H301 | 110.4° | 109.5° |
| C30 | O31 | H311 | 109.5° | 114.0° |
| C38 | C29 | C30 | 114.2° | 109.5° |
| C29 | C38 | C36 | 113.2° | 109.5° |
| C29 | C38 | O39 | 109.3° | 109.5° |
| C38 | C29 | H291 | 107.8° | 109.5° |
| C29 | C38 | H381 | 107.9° | 109.5° |
| C29 | C30 | C32 | 114.2° | 109.5° |
| C30 | C29 | H291 | 108.0° | 109.4° |
| C29 | C30 | H301 | 108.7° | 109.5° |
| O37 | C36 | C38 | 109.1° | 109.5° |
| O37 | C36 | C34 | 109.4° | 109.5° |
| O37 | C36 | H361 | 109.4° | 109.5° |
| C36 | O37 | H371 | 109.5° | 114.0° |
| O19 | C18 | O20 | 118.4° | 120.0° |
| O19 | C18 | C17 | 119.1° | 120.0° |
| O20 | C18 | C17 | 122.5° | 120.0° |
| C18 | C17 | H171 | 108.5° | 109.5° |
| C18 | C17 | H172 | 108.6° | 109.4° |
| C36 | C38 | O39 | 108.6° | 109.5° |
| C38 | C36 | C34 | 113.3° | 109.5° |
| C38 | C36 | H361 | 107.8° | 109.5° |
| C36 | C38 | H381 | 108.0° | 109.4° |
| O39 | C38 | H381 | 109.8° | 109.4° |
| C38 | O39 | H391 | 109.5° | 114.1° |
| C30 | C32 | C34 | 111.7° | 109.5° |
| C30 | C32 | O33 | 108.5° | 109.5° |
| C32 | C30 | H301 | 108.6° | 109.5° |
| C30 | C32 | H321 | 108.8° | 109.4° |
| C36 | C34 | C32 | 112.2° | 109.4° |
| C36 | C34 | O35 | 108.0° | 109.5° |
| C36 | C34 | H341 | 108.6° | 109.5° |
| C34 | C36 | H361 | 107.8° | 109.5° |
| C34 | C32 | O33 | 108.7° | 109.5° |
| C32 | C34 | O35 | 109.4° | 109.5° |
| C34 | C32 | H321 | 108.8° | 109.5° |
| C32 | C34 | H341 | 108.6° | 109.4° |
| O33 | C32 | H321 | 110.4° | 109.5° |
| C32 | O33 | H331 | 109.5° | 114.1° |
| O35 | C34 | H341 | 110.2° | 109.5° |
| C34 | O35 | H351 | 109.5° | 114.0° |
| H101 | C10 | H2 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H031 | C03 | H013 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H013 | C03 | H032 | 109.4° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.4° |
| H091 | C09 | H1 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H452 | C45 | H451 | 109.4° | 109.5° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H481 | C48 | H482 | 109.4° | 109.5° |
| H492 | C49 | H491 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.4° |
| H532 | C53 | H531 | 109.5° | 109.5° |
| H542 | C54 | H541 | 109.5° | 109.5° |
| H551 | C55 | H552 | 109.5° | 109.5° |
| H561 | C56 | H562 | 109.4° | 109.5° |
| H571 | C57 | H572 | 109.4° | 109.4° |
| H581 | C58 | H582 | 109.5° | 109.4° |
| H591 | C59 | H592 | 109.4° | 109.5° |
| H591 | C59 | H593 | 109.5° | 109.5° |
| H592 | C59 | H593 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C59 | C58 | C57 | H581 | 120.6° | 120.1° |
| C59 | C58 | C57 | H582 | 120.6° | 120.0° |
| C59 | C58 | C57 | C56 | 89.7° | 180.0° |
| C59 | C58 | C57 | H571 | 149.7° | 59.9° |
| C59 | C58 | C57 | H572 | 31.0° | 60.0° |
| C59 | C58 | H581 | H582 | 118.2° | 120.0° |
| C58 | C59 | H591 | H592 | 120.0° | 120.0° |
| C58 | C59 | H591 | H593 | 120.0° | 120.0° |
| C58 | C59 | H592 | H593 | 120.0° | 120.0° |
| C03 | C04 | C05 | H042 | 120.8° | 120.0° |
| C03 | C04 | C05 | H041 | 120.8° | 120.0° |
| C03 | C04 | C05 | C06 | 145.0° | 180.0° |
| C04 | C03 | H031 | H013 | 120.0° | 120.0° |
| C04 | C03 | H031 | H032 | 120.0° | 120.0° |
| C04 | C03 | H013 | H032 | 120.0° | 120.0° |
| C03 | C04 | H042 | H041 | 117.3° | 120.1° |
| C03 | C04 | C05 | H052 | 24.2° | 60.0° |
| C03 | C04 | C05 | H051 | 94.2° | 60.0° |
| C58 | C57 | C56 | H571 | 120.7° | 120.0° |
| C58 | C57 | C56 | H572 | 120.7° | 120.0° |
| C58 | C57 | C56 | C55 | 177.0° | 180.0° |
| C58 | C57 | C56 | H561 | 62.5° | 60.0° |
| C58 | C57 | C56 | H562 | 56.6° | 60.0° |
| C58 | C57 | H571 | H572 | 118.0° | 120.0° |
| C57 | C58 | H581 | H582 | 118.2° | 119.9° |
| C57 | C58 | C59 | H591 | 180.0° | 60.0° |
| C57 | C58 | C59 | H592 | 60.0° | 60.0° |
| C57 | C58 | C59 | H593 | 60.0° | 180.0° |
| C57 | C56 | C55 | H561 | 120.4° | 120.0° |
| C57 | C56 | C55 | H562 | 120.5° | 120.0° |
| C57 | C56 | C55 | C54 | 96.4° | 180.0° |
| C57 | C56 | C55 | H551 | 24.1° | 60.0° |
| C57 | C56 | C55 | H552 | 143.1° | 60.0° |
| C57 | C56 | H561 | H562 | 118.6° | 120.0° |
| C56 | C57 | H571 | H572 | 118.0° | 120.0° |
| C56 | C57 | C58 | H581 | 30.9° | 59.9° |
| C56 | C57 | C58 | H582 | 149.8° | 60.0° |
| C04 | C05 | C06 | H052 | 120.9° | 120.0° |
| C04 | C05 | C06 | H051 | 120.8° | 120.0° |
| C04 | C05 | C06 | C07 | 156.2° | 180.0° |
| C05 | C04 | C03 | H031 | 180.0° | 60.0° |
| C05 | C04 | C03 | H013 | 60.0° | 180.0° |
| C05 | C04 | C03 | H032 | 60.0° | 60.0° |
| C05 | C04 | H042 | H041 | 117.4° | 119.9° |
| C04 | C05 | H052 | H051 | 117.4° | 120.0° |
| C04 | C05 | C06 | H062 | 35.5° | 60.0° |
| C04 | C05 | C06 | H061 | 83.2° | 60.0° |
| C56 | C55 | C54 | H551 | 120.5° | 120.0° |
| C56 | C55 | C54 | H552 | 120.5° | 120.1° |
| C56 | C55 | C54 | C53 | 156.8° | 180.0° |
| C56 | C55 | C54 | H542 | 82.8° | 60.0° |
| C56 | C55 | C54 | H541 | 36.3° | 60.0° |
| C56 | C55 | H551 | H552 | 118.4° | 120.0° |
| C55 | C56 | H561 | H562 | 118.6° | 120.0° |
| C55 | C56 | C57 | H571 | 56.4° | 60.0° |
| C55 | C56 | C57 | H572 | 62.3° | 59.9° |
| C05 | C06 | C07 | H062 | 120.7° | 120.0° |
| C05 | C06 | C07 | H061 | 120.7° | 119.9° |
| C05 | C06 | C07 | C08 | 155.6° | 180.0° |
| C06 | C05 | C04 | H042 | 94.1° | 60.0° |
| C06 | C05 | C04 | H041 | 24.2° | 60.0° |
| C06 | C05 | H052 | H051 | 117.4° | 120.0° |
| C05 | C06 | H062 | H061 | 118.0° | 120.0° |
| C05 | C06 | C07 | H072 | 34.7° | 60.0° |
| C05 | C06 | C07 | H071 | 83.5° | 60.0° |
| C55 | C54 | C53 | H542 | 120.5° | 120.0° |
| C55 | C54 | C53 | H541 | 120.5° | 120.0° |
| C55 | C54 | C53 | C52 | 160.9° | 180.0° |
| C55 | C54 | C53 | H532 | 78.7° | 60.0° |
| C55 | C54 | C53 | H531 | 40.6° | 60.0° |
| C55 | C54 | H542 | H541 | 118.5° | 120.0° |
| C54 | C55 | H551 | H552 | 118.4° | 120.0° |
| C54 | C55 | C56 | H561 | 143.2° | 60.0° |
| C54 | C55 | C56 | H562 | 24.1° | 59.9° |
| C06 | C07 | C08 | H072 | 120.9° | 120.0° |
| C06 | C07 | C08 | H071 | 120.9° | 120.0° |
| C06 | C07 | C08 | C09 | 126.7° | 180.0° |
| C07 | C06 | C05 | H052 | 82.9° | 60.0° |
| C07 | C06 | C05 | H051 | 35.4° | 60.0° |
| C07 | C06 | H062 | H061 | 117.9° | 120.0° |
| C06 | C07 | H072 | H071 | 117.1° | 119.9° |
| C06 | C07 | C08 | H082 | 5.6° | 60.0° |
| C06 | C07 | C08 | H081 | 112.2° | 60.0° |
| C07 | C08 | C09 | H082 | 121.1° | 120.0° |
| C07 | C08 | C09 | H081 | 121.1° | 120.0° |
| C07 | C08 | C09 | C10 | 170.8° | 180.0° |
| C08 | C07 | C06 | H062 | 83.8° | 60.0° |
| C08 | C07 | C06 | H061 | 34.9° | 60.0° |
| C08 | C07 | H072 | H071 | 117.2° | 120.1° |
| C07 | C08 | H082 | H081 | 116.6° | 120.0° |
| C07 | C08 | C09 | H091 | 69.1° | 60.0° |
| C07 | C08 | C09 | H1 | 50.6° | 60.0° |
| C54 | C53 | C52 | H532 | 120.3° | 120.0° |
| C54 | C53 | C52 | H531 | 120.4° | 120.0° |
| C54 | C53 | C52 | C51 | 154.1° | 180.0° |
| C54 | C53 | C52 | H521 | 85.4° | 60.0° |
| C54 | C53 | C52 | H522 | 33.5° | 60.0° |
| C54 | C53 | H532 | H531 | 119.0° | 120.1° |
| C53 | C54 | H542 | H541 | 118.5° | 120.0° |
| C53 | C54 | C55 | H551 | 36.2° | 60.0° |
| C53 | C54 | C55 | H552 | 82.7° | 60.0° |
| C08 | C09 | C10 | H091 | 120.2° | 120.0° |
| C08 | C09 | C10 | H1 | 120.2° | 120.0° |
| C08 | C09 | C10 | C11 | 172.0° | 180.0° |
| C08 | C09 | C10 | H101 | 67.3° | 60.0° |
| C08 | C09 | C10 | H2 | 51.4° | 60.0° |
| C09 | C08 | C07 | H072 | 112.4° | 60.0° |
| C09 | C08 | C07 | H071 | 5.8° | 60.0° |
| C09 | C08 | H082 | H081 | 116.7° | 120.0° |
| C08 | C09 | H091 | H1 | 119.5° | 120.0° |
| C53 | C52 | C51 | H521 | 120.5° | 120.1° |
| C53 | C52 | C51 | H522 | 120.5° | 120.0° |
| C53 | C52 | C51 | C50 | 150.6° | 126.3° |
| C53 | C52 | C51 | H511 | 29.4° | 53.7° |
| C53 | C52 | H521 | H522 | 118.4° | 120.0° |
| C52 | C53 | H532 | H531 | 119.0° | 120.0° |
| C52 | C53 | C54 | H542 | 40.5° | 60.0° |
| C52 | C53 | C54 | H541 | 78.6° | 60.1° |
| C09 | C10 | C11 | H101 | 120.7° | 120.0° |
| C09 | C10 | C11 | H2 | 120.7° | 120.0° |
| C09 | C10 | C11 | C12 | 127.3° | 180.0° |
| C09 | C10 | H101 | H2 | 117.9° | 120.0° |
| C10 | C09 | C08 | H082 | 49.7° | 60.0° |
| C10 | C09 | C08 | H081 | 68.2° | 60.0° |
| C10 | C09 | H091 | H1 | 119.5° | 120.0° |
| C09 | C10 | C11 | H111 | 6.7° | 60.0° |
| C09 | C10 | C11 | H112 | 112.1° | 60.0° |
| C52 | C51 | C50 | H511 | 180.0° | 180.0° |
| C52 | C51 | C50 | C49 | 1.6° | 7.5° |
| C52 | C51 | C50 | H501 | 178.4° | 172.5° |
| C51 | C52 | H521 | H522 | 118.4° | 119.9° |
| C51 | C52 | C53 | H532 | 33.8° | 60.0° |
| C51 | C52 | C53 | H531 | 85.6° | 60.0° |
| C10 | C11 | C12 | H111 | 120.6° | 120.0° |
| C10 | C11 | C12 | H112 | 120.6° | 120.0° |
| C10 | C11 | C12 | C13 | 179.2° | 180.0° |
| C11 | C10 | H101 | H2 | 118.0° | 120.0° |
| C11 | C10 | C09 | H091 | 51.9° | 60.0° |
| C11 | C10 | C09 | H1 | 67.8° | 60.0° |
| C10 | C11 | H111 | H112 | 118.2° | 120.1° |
| C10 | C11 | C12 | H122 | 58.9° | 60.0° |
| C10 | C11 | C12 | H121 | 60.4° | 60.0° |
| C51 | C50 | C49 | H501 | 180.0° | 180.0° |
| C51 | C50 | C49 | C48 | 124.2° | 127.6° |
| C51 | C50 | C49 | H492 | 4.0° | 7.7° |
| C51 | C50 | C49 | H491 | 115.6° | 112.4° |
| C50 | C51 | C52 | H521 | 88.9° | 113.6° |
| C50 | C51 | C52 | H522 | 30.0° | 6.3° |
| C11 | C12 | C13 | H122 | 120.4° | 120.0° |
| C11 | C12 | C13 | H121 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 130.1° | 180.0° |
| C12 | C11 | C10 | H101 | 112.0° | 60.0° |
| C12 | C11 | C10 | H2 | 6.6° | 60.0° |
| C11 | C12 | C13 | H132 | 109.3° | 60.0° |
| C11 | C12 | C13 | H131 | 9.5° | 60.0° |
| C12 | C11 | H111 | H112 | 118.2° | 119.9° |
| C11 | C12 | H122 | H121 | 118.8° | 119.9° |
| C12 | C13 | C14 | H132 | 120.6° | 120.0° |
| C12 | C13 | C14 | H131 | 120.6° | 120.0° |
| C12 | C13 | C14 | C15 | 171.9° | 180.0° |
| C12 | C13 | H132 | H131 | 118.2° | 120.0° |
| C13 | C12 | C11 | H111 | 60.2° | 60.0° |
| C13 | C12 | C11 | H112 | 58.7° | 60.0° |
| C13 | C12 | H122 | H121 | 118.8° | 120.0° |
| C12 | C13 | C14 | H142 | 51.4° | 60.0° |
| C12 | C13 | C14 | H141 | 67.6° | 60.0° |
| C50 | C49 | C48 | H492 | 120.2° | 119.9° |
| C50 | C49 | C48 | H491 | 120.2° | 120.0° |
| C50 | C49 | C48 | C47 | 54.8° | 180.0° |
| C50 | C49 | C48 | H481 | 175.1° | 60.0° |
| C50 | C49 | C48 | H482 | 65.5° | 60.0° |
| C50 | C49 | H492 | H491 | 119.4° | 120.1° |
| C49 | C50 | C51 | H511 | 178.4° | 172.5° |
| C49 | C48 | C47 | H481 | 120.4° | 120.0° |
| C49 | C48 | C47 | H482 | 120.3° | 120.0° |
| C49 | C48 | C47 | C46 | 153.2° | 180.0° |
| C49 | C48 | C47 | H471 | 86.4° | 60.1° |
| C49 | C48 | C47 | H472 | 32.9° | 60.0° |
| C49 | C48 | H481 | H482 | 119.0° | 120.0° |
| C48 | C49 | H492 | H491 | 119.4° | 120.0° |
| C48 | C49 | C50 | H501 | 55.8° | 52.4° |
| O27 | P25 | O26 | O24 | 118.3° | 120.0° |
| O27 | P25 | O26 | O28 | 118.6° | 120.0° |
| O27 | P25 | O24 | O28 | 118.2° | 120.0° |
| O27 | P25 | O24 | C23 | 136.0° | 55.0° |
| O27 | P25 | O28 | C29 | 146.2° | 55.0° |
| O27 | P25 | O26 | H3 | 0.0° | 180.0° |
| C44 | C43 | C41 | H431 | 120.4° | 120.0° |
| C44 | C43 | C41 | H432 | 120.4° | 120.0° |
| C43 | C44 | C45 | H441 | 120.6° | 120.0° |
| C43 | C44 | C45 | H442 | 120.6° | 120.0° |
| C44 | C43 | C41 | O42 | 124.9° | 0.0° |
| C44 | C43 | C41 | O40 | 54.3° | 180.0° |
| C43 | C44 | C45 | C46 | 167.3° | 180.0° |
| C44 | C43 | H431 | H432 | 118.8° | 120.0° |
| C43 | C44 | H441 | H442 | 118.2° | 120.0° |
| C43 | C44 | C45 | H452 | 47.0° | 60.0° |
| C43 | C44 | C45 | H451 | 72.4° | 60.0° |
| C41 | C43 | C44 | C45 | 56.3° | 180.0° |
| C43 | C41 | O42 | O40 | 179.1° | 180.0° |
| C43 | C41 | O40 | C22 | 146.5° | 180.0° |
| C41 | C43 | H431 | H432 | 118.8° | 120.0° |
| C41 | C43 | C44 | H441 | 64.3° | 60.0° |
| C41 | C43 | C44 | H442 | 176.9° | 60.0° |
| C44 | C45 | C46 | C47 | 101.8° | 180.0° |
| C44 | C45 | C46 | H452 | 120.3° | 120.0° |
| C44 | C45 | C46 | H451 | 120.3° | 120.0° |
| C45 | C44 | C43 | H431 | 64.1° | 60.0° |
| C45 | C44 | C43 | H432 | 176.7° | 60.0° |
| C45 | C44 | H441 | H442 | 118.2° | 120.0° |
| C44 | C45 | H452 | H451 | 119.2° | 120.0° |
| C44 | C45 | C46 | H461 | 18.6° | 60.0° |
| C44 | C45 | C46 | H462 | 137.8° | 60.0° |
| C13 | C14 | C15 | H142 | 120.5° | 120.0° |
| C13 | C14 | C15 | H141 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 152.3° | 180.0° |
| C14 | C13 | H132 | H131 | 118.2° | 120.0° |
| C13 | C14 | C15 | H152 | 86.8° | 60.0° |
| C13 | C14 | C15 | H151 | 31.5° | 60.0° |
| C14 | C13 | C12 | H122 | 9.8° | 60.0° |
| C14 | C13 | C12 | H121 | 109.5° | 60.0° |
| C13 | C14 | H142 | H141 | 118.4° | 120.0° |
| C48 | C47 | C46 | H471 | 120.4° | 120.0° |
| C48 | C47 | C46 | H472 | 120.4° | 120.0° |
| C48 | C47 | C46 | C45 | 176.5° | 180.0° |
| C48 | C47 | C46 | H461 | 63.1° | 60.0° |
| C48 | C47 | C46 | H462 | 56.1° | 60.0° |
| C48 | C47 | H471 | H472 | 118.8° | 120.1° |
| C47 | C48 | H481 | H482 | 119.0° | 120.0° |
| C47 | C48 | C49 | H492 | 65.4° | 60.0° |
| C47 | C48 | C49 | H491 | 175.0° | 60.0° |
| C47 | C46 | C45 | H461 | 120.4° | 120.0° |
| C47 | C46 | C45 | H462 | 120.4° | 120.0° |
| C47 | C46 | C45 | H452 | 18.5° | 60.0° |
| C47 | C46 | C45 | H451 | 137.9° | 60.0° |
| C47 | C46 | H461 | H462 | 118.8° | 120.0° |
| C46 | C47 | H471 | H472 | 118.8° | 120.0° |
| C46 | C47 | C48 | H481 | 32.9° | 60.0° |
| C46 | C47 | C48 | H482 | 86.4° | 60.0° |
| C14 | C15 | C16 | H152 | 120.8° | 120.0° |
| C14 | C15 | C16 | H151 | 120.8° | 120.0° |
| C14 | C15 | C16 | C17 | 125.6° | 180.0° |
| C15 | C14 | C13 | H132 | 67.5° | 60.0° |
| C15 | C14 | C13 | H131 | 51.3° | 60.0° |
| C14 | C15 | H152 | H151 | 117.4° | 120.0° |
| C15 | C14 | H142 | H141 | 118.4° | 120.0° |
| C14 | C15 | C16 | H161 | 4.7° | 60.0° |
| C14 | C15 | C16 | H162 | 113.6° | 60.0° |
| O26 | P25 | O24 | O28 | 123.2° | 120.0° |
| O26 | P25 | O24 | C23 | 17.4° | 65.0° |
| O26 | P25 | O28 | C29 | 95.3° | 65.0° |
| P25 | O24 | C23 | C22 | 135.3° | 180.0° |
| O24 | P25 | O28 | C29 | 28.4° | 175.0° |
| P25 | O24 | C23 | H232 | 15.1° | 60.0° |
| P25 | O24 | C23 | H231 | 104.6° | 60.0° |
| O24 | P25 | O26 | H3 | 118.3° | 60.0° |
| O28 | P25 | O24 | C23 | 105.8° | 175.0° |
| P25 | O28 | C29 | C38 | 72.1° | 120.0° |
| P25 | O28 | C29 | C30 | 163.3° | 120.0° |
| O28 | P25 | O26 | H3 | 118.6° | 60.0° |
| P25 | O28 | C29 | H291 | 47.2° | 0.1° |
| O24 | C23 | C22 | H232 | 120.1° | 120.0° |
| O24 | C23 | C22 | H231 | 120.1° | 120.0° |
| O24 | C23 | C22 | O40 | 78.0° | 65.0° |
| O24 | C23 | C22 | C21 | 166.1° | 55.0° |
| O24 | C23 | C22 | H221 | 46.0° | 175.0° |
| O24 | C23 | H232 | H231 | 119.6° | 120.0° |
| O42 | C41 | O40 | C22 | 34.4° | 0.0° |
| O42 | C41 | C43 | H431 | 4.5° | 120.0° |
| O42 | C41 | C43 | H432 | 114.8° | 120.0° |
| C41 | O40 | C22 | C23 | 65.6° | 90.0° |
| C41 | O40 | C22 | C21 | 175.4° | 150.0° |
| C41 | O40 | C22 | H221 | 57.2° | 29.9° |
| O40 | C41 | C43 | H431 | 174.6° | 60.0° |
| O40 | C41 | C43 | H432 | 66.1° | 60.0° |
| C46 | C45 | C44 | H441 | 72.1° | 60.0° |
| C46 | C45 | C44 | H442 | 46.7° | 60.0° |
| C46 | C45 | H452 | H451 | 119.2° | 120.0° |
| C45 | C46 | H461 | H462 | 118.8° | 120.0° |
| C45 | C46 | C47 | H471 | 56.1° | 60.0° |
| C45 | C46 | C47 | H472 | 63.1° | 60.0° |
| C23 | C22 | O40 | C21 | 119.0° | 120.0° |
| C23 | C22 | O40 | H221 | 122.8° | 120.0° |
| C23 | C22 | C21 | H221 | 119.9° | 120.0° |
| C23 | C22 | C21 | O20 | 95.7° | 55.0° |
| C23 | C22 | C21 | H212 | 24.9° | 175.0° |
| C23 | C22 | C21 | H211 | 143.8° | 65.0° |
| C22 | C23 | H232 | H231 | 119.6° | 120.0° |
| O40 | C22 | C21 | H221 | 119.4° | 120.0° |
| O40 | C22 | C21 | O20 | 143.6° | 64.9° |
| O40 | C22 | C21 | H212 | 95.8° | 55.0° |
| O40 | C22 | C21 | H211 | 23.1° | 175.0° |
| O40 | C22 | C23 | H232 | 161.9° | 175.0° |
| O40 | C22 | C23 | H231 | 42.2° | 55.0° |
| O28 | C29 | C30 | O31 | 43.1° | 60.0° |
| O28 | C29 | C38 | C30 | 119.7° | 120.0° |
| O28 | C29 | C38 | H291 | 120.2° | 120.0° |
| O28 | C29 | C30 | H291 | 117.1° | 119.9° |
| O28 | C29 | C38 | C36 | 75.2° | 180.0° |
| O28 | C29 | C38 | O39 | 163.6° | 60.0° |
| O28 | C29 | C30 | C32 | 76.5° | 180.0° |
| O28 | C29 | C30 | H301 | 162.1° | 60.0° |
| O28 | C29 | C38 | H381 | 44.2° | 60.0° |
| C22 | C21 | O20 | H212 | 120.5° | 119.9° |
| C22 | C21 | O20 | H211 | 120.5° | 120.1° |
| C22 | C21 | O20 | C18 | 119.5° | 180.0° |
| C22 | C21 | H212 | H211 | 118.4° | 120.0° |
| C21 | C22 | C23 | H232 | 46.0° | 65.0° |
| C21 | C22 | C23 | H231 | 73.8° | 175.0° |
| C15 | C16 | C17 | H161 | 120.8° | 119.9° |
| C15 | C16 | C17 | H162 | 120.9° | 120.0° |
| C15 | C16 | C17 | C18 | 86.7° | 179.9° |
| C16 | C15 | H152 | H151 | 117.4° | 120.0° |
| C15 | C16 | C17 | H171 | 152.8° | 60.0° |
| C15 | C16 | C17 | H172 | 33.9° | 60.0° |
| C16 | C15 | C14 | H142 | 31.8° | 60.0° |
| C16 | C15 | C14 | H141 | 87.2° | 60.0° |
| C15 | C16 | H161 | H162 | 117.4° | 120.0° |
| C21 | O20 | C18 | O19 | 94.3° | 0.1° |
| C21 | O20 | C18 | C17 | 86.4° | 180.0° |
| O20 | C21 | H212 | H211 | 118.3° | 120.0° |
| O20 | C21 | C22 | H221 | 24.2° | 175.0° |
| C16 | C17 | C18 | O19 | 76.0° | 0.0° |
| C16 | C17 | C18 | O20 | 104.7° | 180.0° |
| C16 | C17 | C18 | H171 | 120.5° | 120.0° |
| C16 | C17 | C18 | H172 | 120.6° | 120.0° |
| C17 | C16 | C15 | H152 | 113.6° | 60.0° |
| C17 | C16 | C15 | H151 | 4.8° | 60.0° |
| C16 | C17 | H171 | H172 | 118.3° | 120.0° |
| C17 | C16 | H161 | H162 | 117.4° | 120.0° |
| O31 | C30 | C29 | C38 | 166.0° | 60.0° |
| O31 | C30 | C29 | C32 | 119.6° | 120.0° |
| O31 | C30 | C29 | H301 | 119.0° | 120.0° |
| O31 | C30 | C32 | H301 | 120.0° | 120.0° |
| O31 | C30 | C32 | C34 | 169.4° | 60.0° |
| O31 | C30 | C32 | O33 | 70.9° | 180.0° |
| O31 | C30 | C29 | H291 | 74.0° | 180.0° |
| O31 | C30 | C32 | H321 | 49.3° | 60.0° |
| C38 | C29 | C30 | H291 | 120.0° | 120.0° |
| C29 | C38 | C36 | O37 | 74.0° | 180.0° |
| C29 | C38 | C36 | O39 | 121.6° | 120.0° |
| C29 | C38 | C36 | H381 | 119.4° | 120.0° |
| C29 | C38 | O39 | H381 | 118.2° | 120.0° |
| C38 | C29 | C30 | C32 | 46.4° | 60.0° |
| C29 | C38 | C36 | C34 | 48.1° | 60.0° |
| C38 | C29 | C30 | H301 | 75.0° | 180.0° |
| C29 | C38 | C36 | H361 | 167.2° | 60.0° |
| C29 | C38 | O39 | H391 | 180.0° | 180.0° |
| C30 | C29 | C38 | C36 | 44.5° | 60.0° |
| C30 | C29 | C38 | O39 | 76.8° | 180.0° |
| C29 | C30 | C32 | H301 | 121.4° | 120.0° |
| C29 | C30 | C32 | C34 | 50.8° | 60.0° |
| C29 | C30 | C32 | O33 | 170.6° | 60.0° |
| C29 | C30 | O31 | H311 | 180.0° | 180.0° |
| C29 | C30 | C32 | H321 | 69.2° | 180.0° |
| C30 | C29 | C38 | H381 | 163.9° | 60.0° |
| O37 | C36 | C38 | C34 | 122.1° | 120.0° |
| O37 | C36 | C38 | H361 | 118.7° | 120.0° |
| O37 | C36 | C38 | O39 | 164.4° | 60.0° |
| O37 | C36 | C34 | H361 | 118.9° | 120.0° |
| O37 | C36 | C34 | C32 | 68.7° | 180.0° |
| O37 | C36 | C34 | O35 | 51.9° | 60.0° |
| O37 | C36 | C34 | H341 | 171.4° | 60.1° |
| O37 | C36 | C38 | H381 | 45.4° | 60.0° |
| O19 | C18 | O20 | C17 | 179.3° | 179.9° |
| O19 | C18 | C17 | H171 | 44.5° | 120.0° |
| O19 | C18 | C17 | H172 | 163.4° | 120.0° |
| O20 | C18 | C17 | H171 | 134.8° | 59.9° |
| O20 | C18 | C17 | H172 | 15.9° | 60.0° |
| C18 | O20 | C21 | H212 | 1.0° | 60.1° |
| C18 | O20 | C21 | H211 | 119.9° | 59.9° |
| C18 | C17 | H171 | H172 | 118.3° | 119.9° |
| C18 | C17 | C16 | H161 | 34.2° | 60.0° |
| C18 | C17 | C16 | H162 | 152.5° | 60.0° |
| C36 | C38 | O39 | H381 | 117.9° | 119.9° |
| C38 | C36 | C34 | H361 | 119.2° | 120.0° |
| C38 | C36 | C34 | C32 | 53.3° | 60.0° |
| C38 | C36 | C34 | O35 | 173.8° | 60.0° |
| C36 | C38 | C29 | H291 | 164.6° | 60.0° |
| C38 | C36 | C34 | H341 | 66.7° | 179.9° |
| C38 | C36 | O37 | H371 | 180.0° | 180.0° |
| C36 | C38 | O39 | H391 | 56.1° | 60.0° |
| O39 | C38 | C36 | C34 | 73.5° | 180.0° |
| O39 | C38 | C29 | H291 | 43.3° | 60.0° |
| O39 | C38 | C36 | H361 | 45.7° | 60.0° |
| C30 | C32 | C34 | C36 | 53.9° | 60.0° |
| C30 | C32 | C34 | O33 | 119.6° | 120.0° |
| C30 | C32 | C34 | H321 | 120.1° | 119.9° |
| C30 | C32 | O33 | H321 | 119.1° | 120.0° |
| C30 | C32 | C34 | O35 | 173.7° | 60.0° |
| C32 | C30 | C29 | H291 | 166.4° | 60.0° |
| C32 | C30 | O31 | H311 | 56.7° | 60.0° |
| C30 | C32 | O33 | H331 | 180.0° | 180.0° |
| C30 | C32 | C34 | H341 | 66.1° | 180.0° |
| C36 | C34 | C32 | O35 | 119.8° | 120.0° |
| C36 | C34 | C32 | H341 | 120.0° | 119.9° |
| C36 | C34 | C32 | O33 | 173.5° | 60.0° |
| C36 | C34 | O35 | H341 | 118.4° | 120.0° |
| C36 | C34 | C32 | H321 | 66.2° | 180.0° |
| C36 | C34 | O35 | H351 | 180.0° | 60.1° |
| C34 | C36 | O37 | H371 | 55.5° | 60.0° |
| C34 | C36 | C38 | H381 | 167.4° | 60.0° |
| C34 | C32 | O33 | H321 | 119.3° | 120.0° |
| C32 | C34 | O35 | H341 | 119.3° | 120.0° |
| C34 | C32 | C30 | H301 | 70.6° | 180.0° |
| C34 | C32 | O33 | H331 | 58.4° | 60.0° |
| C32 | C34 | O35 | H351 | 57.7° | 180.0° |
| C32 | C34 | C36 | H361 | 172.4° | 60.0° |
| O33 | C32 | C34 | O35 | 66.7° | NaN° |
| O33 | C32 | C30 | H301 | 49.2° | 60.0° |
| O33 | C32 | C34 | H341 | 53.6° | 59.9° |
| O35 | C34 | C32 | H321 | 53.6° | 60.0° |
| O35 | C34 | C36 | H361 | 67.0° | 180.0° |
| H101 | C10 | C09 | H091 | 172.5° | 60.0° |
| H101 | C10 | C09 | H1 | 52.9° | 180.0° |
| H101 | C10 | C11 | H111 | 127.4° | 180.0° |
| H101 | C10 | C11 | H112 | 8.5° | 60.0° |
| H2 | C10 | C09 | H091 | 68.8° | 180.0° |
| H2 | C10 | C09 | H1 | 171.5° | 60.0° |
| H2 | C10 | C11 | H111 | 114.0° | 60.0° |
| H2 | C10 | C11 | H112 | 127.2° | 180.0° |
| H132 | C13 | C12 | H122 | 130.4° | 60.0° |
| H132 | C13 | C12 | H121 | 11.1° | 180.0° |
| H132 | C13 | C14 | H142 | 172.0° | 180.0° |
| H132 | C13 | C14 | H141 | 53.0° | 60.0° |
| H131 | C13 | C12 | H122 | 110.8° | 180.0° |
| H131 | C13 | C12 | H121 | 129.9° | 60.0° |
| H131 | C13 | C14 | H142 | 69.2° | 60.0° |
| H131 | C13 | C14 | H141 | 171.8° | 180.0° |
| H152 | C15 | C14 | H142 | 152.7° | 180.0° |
| H152 | C15 | C14 | H141 | 33.7° | 60.0° |
| H152 | C15 | C16 | H161 | 125.6° | 180.0° |
| H152 | C15 | C16 | H162 | 7.3° | 60.0° |
| H151 | C15 | C14 | H142 | 89.0° | 60.0° |
| H151 | C15 | C14 | H141 | 152.0° | NaN° |
| H151 | C15 | C16 | H161 | 116.1° | 60.0° |
| H151 | C15 | C16 | H162 | 125.6° | 180.0° |
| H171 | C17 | C16 | H161 | 86.4° | 180.0° |
| H171 | C17 | C16 | H162 | 31.9° | 60.0° |
| H172 | C17 | C16 | H161 | 154.8° | 59.9° |
| H172 | C17 | C16 | H162 | 86.9° | 180.0° |
| H212 | C21 | C22 | H221 | 144.8° | 65.0° |
| H211 | C21 | C22 | H221 | 96.3° | 55.0° |
| H221 | C22 | C23 | H232 | 74.1° | 55.0° |
| H221 | C22 | C23 | H231 | 166.1° | 65.0° |
| H031 | C03 | H013 | H032 | 120.0° | 120.0° |
| H031 | C03 | C04 | H042 | 59.1° | 180.0° |
| H031 | C03 | C04 | H041 | 59.2° | 59.9° |
| H013 | C03 | C04 | H042 | 60.9° | 60.0° |
| H013 | C03 | C04 | H041 | 179.2° | 60.0° |
| H032 | C03 | C04 | H042 | 179.2° | 60.0° |
| H032 | C03 | C04 | H041 | 60.8° | 180.0° |
| H042 | C04 | C05 | H052 | 145.0° | 180.0° |
| H042 | C04 | C05 | H051 | 26.7° | 60.0° |
| H041 | C04 | C05 | H052 | 96.7° | 60.0° |
| H041 | C04 | C05 | H051 | 145.0° | 180.0° |
| H052 | C05 | C06 | H062 | 156.4° | 180.0° |
| H052 | C05 | C06 | H061 | 37.7° | 60.0° |
| H051 | C05 | C06 | H062 | 85.3° | 60.0° |
| H051 | C05 | C06 | H061 | 156.0° | 180.0° |
| H062 | C06 | C07 | H072 | 155.3° | 180.0° |
| H062 | C06 | C07 | H071 | 37.2° | 60.0° |
| H061 | C06 | C07 | H072 | 86.0° | 60.0° |
| H061 | C06 | C07 | H071 | 155.8° | 180.0° |
| H072 | C07 | C08 | H082 | 126.5° | 180.0° |
| H072 | C07 | C08 | H081 | 8.7° | 60.0° |
| H071 | C07 | C08 | H082 | 115.3° | 60.0° |
| H071 | C07 | C08 | H081 | 126.8° | 180.0° |
| H082 | C08 | C09 | H091 | 169.9° | 60.0° |
| H082 | C08 | C09 | H1 | 70.4° | 180.0° |
| H081 | C08 | C09 | H091 | 52.0° | 180.0° |
| H081 | C08 | C09 | H1 | 171.7° | 60.0° |
| H111 | C11 | C12 | H122 | 179.4° | 60.0° |
| H111 | C11 | C12 | H121 | 60.2° | 180.0° |
| H112 | C11 | C12 | H122 | 61.7° | 180.0° |
| H112 | C11 | C12 | H121 | 179.1° | 60.0° |
| H291 | C29 | C30 | H301 | 45.0° | 59.9° |
| H291 | C29 | C38 | H381 | 76.0° | 180.0° |
| H301 | C30 | O31 | H311 | 62.2° | 60.0° |
| H301 | C30 | C32 | H321 | 169.3° | 60.0° |
| H321 | C32 | O33 | H331 | 60.9° | 60.0° |
| H321 | C32 | C34 | H341 | 173.9° | 60.1° |
| H341 | C34 | O35 | H351 | 61.6° | 60.0° |
| H341 | C34 | C36 | H361 | 52.4° | 59.9° |
| H361 | C36 | O37 | H371 | 62.4° | 60.0° |
| H361 | C36 | C38 | H381 | 73.4° | 180.0° |
| H381 | C38 | O39 | H391 | 61.8° | 59.9° |
| H431 | C43 | C44 | H441 | 175.4° | 180.0° |
| H431 | C43 | C44 | H442 | 56.5° | 60.0° |
| H432 | C43 | C44 | H441 | 56.1° | 60.0° |
| H432 | C43 | C44 | H442 | 62.7° | 180.0° |
| H441 | C44 | C45 | H452 | 167.6° | 180.0° |
| H441 | C44 | C45 | H451 | 48.2° | 60.0° |
| H442 | C44 | C45 | H452 | 73.6° | 60.0° |
| H442 | C44 | C45 | H451 | 167.0° | 180.0° |
| H452 | C45 | C46 | H461 | 138.9° | 180.0° |
| H452 | C45 | C46 | H462 | 101.9° | 60.0° |
| H451 | C45 | C46 | H461 | 101.7° | 60.0° |
| H451 | C45 | C46 | H462 | 17.5° | 180.0° |
| H461 | C46 | C47 | H471 | 176.5° | 180.0° |
| H461 | C46 | C47 | H472 | 57.3° | 60.0° |
| H462 | C46 | C47 | H471 | 64.3° | 59.9° |
| H462 | C46 | C47 | H472 | 176.5° | 180.0° |
| H471 | C47 | C48 | H481 | 153.3° | 179.9° |
| H471 | C47 | C48 | H482 | 34.0° | 60.0° |
| H472 | C47 | C48 | H481 | 87.5° | 60.0° |
| H472 | C47 | C48 | H482 | 153.2° | 180.0° |
| H481 | C48 | C49 | H492 | 55.0° | 180.0° |
| H481 | C48 | C49 | H491 | 64.6° | 60.0° |
| H482 | C48 | C49 | H492 | 174.3° | 60.0° |
| H482 | C48 | C49 | H491 | 54.7° | 180.0° |
| H492 | C49 | C50 | H501 | 176.0° | 172.3° |
| H491 | C49 | C50 | H501 | 64.4° | 67.6° |
| H501 | C50 | C51 | H511 | 1.6° | 7.5° |
| H511 | C51 | C52 | H521 | 91.1° | 66.4° |
| H511 | C51 | C52 | H522 | 150.0° | 173.7° |
| H521 | C52 | C53 | H532 | 154.3° | 180.0° |
| H521 | C52 | C53 | H531 | 35.0° | 60.0° |
| H522 | C52 | C53 | H532 | 86.7° | 60.0° |
| H522 | C52 | C53 | H531 | 153.9° | 180.0° |
| H532 | C53 | C54 | H542 | 160.8° | NaN° |
| H532 | C53 | C54 | H541 | 41.7° | 59.9° |
| H531 | C53 | C54 | H542 | 79.9° | 59.9° |
| H531 | C53 | C54 | H541 | 161.1° | 180.0° |
| H542 | C54 | C55 | H551 | 156.7° | 180.0° |
| H542 | C54 | C55 | H552 | 37.8° | 60.0° |
| H541 | C54 | C55 | H551 | 84.3° | 59.9° |
| H541 | C54 | C55 | H552 | 156.8° | 179.9° |
| H551 | C55 | C56 | H561 | 96.3° | 180.0° |
| H551 | C55 | C56 | H562 | 144.6° | 60.0° |
| H552 | C55 | C56 | H561 | 22.7° | 60.0° |
| H552 | C55 | C56 | H562 | 96.4° | 180.0° |
| H561 | C56 | C57 | H571 | 176.8° | 180.0° |
| H561 | C56 | C57 | H572 | 58.1° | 60.0° |
| H562 | C56 | C57 | H571 | 64.1° | 60.0° |
| H562 | C56 | C57 | H572 | 177.2° | 180.0° |
| H571 | C57 | C58 | H581 | 89.8° | 180.0° |
| H571 | C57 | C58 | H582 | 29.1° | 60.1° |
| H572 | C57 | C58 | H581 | 151.6° | 60.1° |
| H572 | C57 | C58 | H582 | 89.6° | 180.0° |
| H581 | C58 | C59 | H591 | 59.4° | 180.0° |
| H581 | C58 | C59 | H592 | 60.5° | 60.0° |
| H581 | C58 | C59 | H593 | 179.4° | 60.0° |
| H582 | C58 | C59 | H591 | 59.4° | 60.0° |
| H582 | C58 | C59 | H592 | 179.4° | 180.0° |
| H582 | C58 | C59 | H593 | 60.6° | 60.0° |
| H591 | C59 | H592 | H593 | 120.0° | 120.0° |
