L1P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| O1 | C11 | sing | 1.43Å | 1.43Å | |
| C2 | O2 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| O2 | C41 | sing | 1.43Å | 1.45Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| O3 | P | sing | 1.61Å | 1.65Å | |
| P | O1P | doub | 1.48Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| P | O3P | sing | 1.61Å | 1.64Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.48Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| C24 | H243 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.11Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C43 | C45 | sing | 1.53Å | 1.54Å | |
| C43 | H43 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.12Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C46 | H462 | sing | 1.09Å | 1.12Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C47 | H472 | sing | 1.09Å | 1.12Å | |
| C47 | H471 | sing | 1.09Å | 1.12Å | |
| C48 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | C50 | sing | 1.53Å | 1.55Å | |
| C48 | H48 | sing | 1.09Å | 1.11Å | |
| C49 | H493 | sing | 1.09Å | 1.12Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C49 | H491 | sing | 1.09Å | 1.12Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C50 | H502 | sing | 1.09Å | 1.11Å | |
| C50 | H501 | sing | 1.09Å | 1.12Å | |
| C51 | C52 | sing | 1.53Å | 1.54Å | |
| C51 | H512 | sing | 1.09Å | 1.11Å | |
| C51 | H511 | sing | 1.09Å | 1.11Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | H522 | sing | 1.09Å | 1.12Å | |
| C52 | H521 | sing | 1.09Å | 1.12Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C53 | C55 | sing | 1.53Å | 1.52Å | |
| C53 | H53 | sing | 1.09Å | 1.12Å | |
| C54 | H543 | sing | 1.09Å | 1.11Å | |
| C54 | H542 | sing | 1.09Å | 1.12Å | |
| C54 | H541 | sing | 1.09Å | 1.11Å | |
| C55 | C56 | sing | 1.53Å | 1.54Å | |
| C55 | H552 | sing | 1.09Å | 1.12Å | |
| C55 | H551 | sing | 1.09Å | 1.12Å | |
| C56 | C57 | sing | 1.53Å | 1.55Å | |
| C56 | H562 | sing | 1.09Å | 1.12Å | |
| C56 | H561 | sing | 1.09Å | 1.11Å | |
| C57 | C58 | sing | 1.53Å | 1.54Å | |
| C57 | H572 | sing | 1.09Å | 1.12Å | |
| C57 | H571 | sing | 1.09Å | 1.12Å | |
| C58 | C59 | sing | 1.53Å | 1.54Å | |
| C58 | C60 | sing | 1.53Å | 1.54Å | |
| C58 | H58 | sing | 1.09Å | 1.11Å | |
| C59 | H593 | sing | 1.09Å | 1.11Å | |
| C59 | H592 | sing | 1.09Å | 1.12Å | |
| C59 | H591 | sing | 1.09Å | 1.12Å | |
| C60 | H603 | sing | 1.09Å | 1.11Å | |
| C60 | H602 | sing | 1.09Å | 1.12Å | |
| C60 | H601 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 110.4° | 109.5° |
| O1 | C1 | H12 | 111.8° | 109.4° |
| O1 | C1 | H11 | 111.8° | 109.5° |
| C1 | O1 | C11 | 120.2° | 106.8° |
| C2 | C1 | H12 | 111.9° | 109.5° |
| C2 | C1 | H11 | 111.9° | 109.5° |
| C1 | C2 | O2 | 111.3° | 109.5° |
| C1 | C2 | C3 | 108.6° | 109.5° |
| C1 | C2 | H2 | 109.1° | 109.5° |
| H12 | C1 | H11 | 98.5° | 109.5° |
| O1 | C11 | C12 | 109.9° | 109.4° |
| O1 | C11 | H112 | 112.1° | 109.5° |
| O1 | C11 | H111 | 112.1° | 109.4° |
| O2 | C2 | C3 | 110.3° | 109.4° |
| O2 | C2 | H2 | 107.4° | 109.5° |
| C2 | O2 | C41 | 121.2° | 106.8° |
| C3 | C2 | H2 | 110.3° | 109.5° |
| C2 | C3 | O3 | 110.0° | 109.5° |
| C2 | C3 | H32 | 112.0° | 109.5° |
| C2 | C3 | H31 | 112.0° | 109.4° |
| O2 | C41 | C42 | 110.8° | 109.5° |
| O2 | C41 | H412 | 111.7° | 109.5° |
| O2 | C41 | H411 | 111.7° | 109.4° |
| O3 | C3 | H32 | 112.0° | 109.5° |
| O3 | C3 | H31 | 112.0° | 109.4° |
| C3 | O3 | P | 122.5° | 106.8° |
| H32 | C3 | H31 | 98.4° | 109.4° |
| O3 | P | O1P | 109.5° | 109.5° |
| O3 | P | O2P | 109.9° | 109.5° |
| O3 | P | O3P | 110.5° | 109.5° |
| O1P | P | O2P | 108.7° | 109.4° |
| O1P | P | O3P | 109.3° | 109.5° |
| O2P | P | O3P | 108.8° | 109.5° |
| P | O2P | HOP2 | 109.9° | 106.8° |
| P | O3P | HOP3 | 110.6° | 106.8° |
| C12 | C11 | H112 | 112.0° | 109.5° |
| C12 | C11 | H111 | 112.0° | 109.5° |
| C11 | C12 | C13 | 108.4° | 109.4° |
| C11 | C12 | H122 | 112.6° | 109.5° |
| C11 | C12 | H121 | 112.6° | 109.4° |
| H112 | C11 | H111 | 98.3° | 109.5° |
| C13 | C12 | H122 | 112.6° | 109.5° |
| C13 | C12 | H121 | 112.6° | 109.4° |
| C12 | C13 | C14 | 106.8° | 109.4° |
| C12 | C13 | C15 | 109.8° | 109.4° |
| C12 | C13 | H13 | 110.8° | 109.5° |
| H122 | C12 | H121 | 97.9° | 109.5° |
| C14 | C13 | C15 | 108.8° | 109.5° |
| C14 | C13 | H13 | 111.7° | 109.5° |
| C13 | C14 | H143 | 106.8° | 109.5° |
| C13 | C14 | H142 | 113.2° | 109.5° |
| C13 | C14 | H141 | 113.2° | 109.5° |
| C15 | C13 | H13 | 108.8° | 109.5° |
| C13 | C15 | C16 | 110.3° | 109.4° |
| C13 | C15 | H152 | 111.9° | 109.5° |
| C13 | C15 | H151 | 111.9° | 109.4° |
| H143 | C14 | H142 | 113.2° | 109.5° |
| H143 | C14 | H141 | 113.2° | 109.5° |
| H142 | C14 | H141 | 97.3° | 109.5° |
| C16 | C15 | H152 | 111.8° | 109.5° |
| C16 | C15 | H151 | 111.9° | 109.4° |
| C15 | C16 | C17 | 108.5° | 109.5° |
| C15 | C16 | H162 | 112.6° | 109.5° |
| C15 | C16 | H161 | 112.6° | 109.5° |
| H152 | C15 | H151 | 98.5° | 109.5° |
| C17 | C16 | H162 | 112.5° | 109.5° |
| C17 | C16 | H161 | 112.5° | 109.5° |
| C16 | C17 | C18 | 108.4° | 109.5° |
| C16 | C17 | H172 | 112.6° | 109.5° |
| C16 | C17 | H171 | 112.6° | 109.4° |
| H162 | C16 | H161 | 97.9° | 109.4° |
| C18 | C17 | H172 | 112.6° | 109.5° |
| C18 | C17 | H171 | 112.6° | 109.4° |
| C17 | C18 | C19 | 108.3° | 109.4° |
| C17 | C18 | C20 | 110.1° | 109.5° |
| C17 | C18 | H18 | 109.3° | 109.5° |
| H172 | C17 | H171 | 97.8° | 109.5° |
| C19 | C18 | C20 | 107.6° | 109.5° |
| C19 | C18 | H18 | 111.7° | 109.5° |
| C18 | C19 | H193 | 108.3° | 109.4° |
| C18 | C19 | H192 | 112.7° | 109.5° |
| C18 | C19 | H191 | 112.7° | 109.5° |
| C20 | C18 | H18 | 110.0° | 109.4° |
| C18 | C20 | C21 | 108.7° | 109.5° |
| C18 | C20 | H202 | 112.5° | 109.5° |
| C18 | C20 | H201 | 112.5° | 109.5° |
| H193 | C19 | H192 | 112.6° | 109.5° |
| H193 | C19 | H191 | 112.6° | 109.5° |
| H192 | C19 | H191 | 97.8° | 109.5° |
| C21 | C20 | H202 | 112.5° | 109.5° |
| C21 | C20 | H201 | 112.5° | 109.5° |
| C20 | C21 | C22 | 109.7° | 109.5° |
| C20 | C21 | H212 | 112.1° | 109.5° |
| C20 | C21 | H211 | 112.1° | 109.4° |
| H202 | C20 | H201 | 98.0° | 109.4° |
| C22 | C21 | H212 | 112.1° | 109.5° |
| C22 | C21 | H211 | 112.1° | 109.5° |
| C21 | C22 | C23 | 108.4° | 109.5° |
| C21 | C22 | H222 | 112.6° | 109.5° |
| C21 | C22 | H221 | 112.6° | 109.5° |
| H212 | C21 | H211 | 98.3° | 109.4° |
| C23 | C22 | H222 | 112.6° | 109.5° |
| C23 | C22 | H221 | 112.5° | 109.5° |
| C22 | C23 | C24 | 109.3° | 109.5° |
| C22 | C23 | C25 | 110.5° | 109.5° |
| C22 | C23 | H23 | 108.5° | 109.5° |
| H222 | C22 | H221 | 97.9° | 109.4° |
| C24 | C23 | C25 | 108.4° | 109.5° |
| C24 | C23 | H23 | 110.6° | 109.5° |
| C23 | C24 | H243 | 109.3° | 109.5° |
| C23 | C24 | H242 | 112.3° | 109.4° |
| C23 | C24 | H241 | 112.3° | 109.5° |
| C25 | C23 | H23 | 109.4° | 109.5° |
| C23 | C25 | C26 | 109.3° | 109.5° |
| C23 | C25 | H252 | 112.3° | 109.5° |
| C23 | C25 | H251 | 112.3° | 109.5° |
| H243 | C24 | H242 | 112.3° | 109.5° |
| H243 | C24 | H241 | 112.2° | 109.5° |
| H242 | C24 | H241 | 98.2° | 109.5° |
| C26 | C25 | H252 | 112.2° | 109.5° |
| C26 | C25 | H251 | 112.2° | 109.5° |
| C25 | C26 | C27 | 110.4° | 109.5° |
| C25 | C26 | H262 | 111.9° | 109.5° |
| C25 | C26 | H261 | 111.9° | 109.5° |
| H252 | C25 | H251 | 98.2° | 109.5° |
| C27 | C26 | H262 | 111.8° | 109.5° |
| C27 | C26 | H261 | 111.9° | 109.4° |
| C26 | C27 | C28 | 110.0° | 109.5° |
| C26 | C27 | H272 | 112.0° | 109.5° |
| C26 | C27 | H271 | 112.0° | 109.4° |
| H262 | C26 | H261 | 98.5° | 109.4° |
| C28 | C27 | H272 | 112.0° | 109.5° |
| C28 | C27 | H271 | 112.0° | 109.5° |
| C27 | C28 | C29 | 110.4° | 109.5° |
| C27 | C28 | C30 | 110.0° | 109.5° |
| C27 | C28 | H28 | 108.1° | 109.5° |
| H272 | C27 | H271 | 98.4° | 109.5° |
| C29 | C28 | C30 | 108.1° | 109.5° |
| C29 | C28 | H28 | 110.0° | 109.5° |
| C28 | C29 | H293 | 110.4° | 109.5° |
| C28 | C29 | H292 | 111.9° | 109.5° |
| C28 | C29 | H291 | 111.9° | 109.5° |
| C30 | C28 | H28 | 110.3° | 109.4° |
| C28 | C30 | H303 | 110.0° | 109.4° |
| C28 | C30 | H302 | 112.0° | 109.5° |
| C28 | C30 | H301 | 112.0° | 109.5° |
| H293 | C29 | H292 | 111.9° | 109.4° |
| H293 | C29 | H291 | 111.8° | 109.5° |
| H292 | C29 | H291 | 98.5° | 109.4° |
| H303 | C30 | H302 | 111.9° | 109.5° |
| H303 | C30 | H301 | 112.0° | 109.4° |
| H302 | C30 | H301 | 98.4° | 109.5° |
| C42 | C41 | H412 | 111.7° | 109.5° |
| C42 | C41 | H411 | 111.7° | 109.4° |
| C41 | C42 | C43 | 108.8° | 109.5° |
| C41 | C42 | H422 | 112.5° | 109.5° |
| C41 | C42 | H421 | 112.5° | 109.5° |
| H412 | C41 | H411 | 98.7° | 109.5° |
| C43 | C42 | H422 | 112.4° | 109.4° |
| C43 | C42 | H421 | 112.5° | 109.4° |
| C42 | C43 | C44 | 109.3° | 109.5° |
| C42 | C43 | C45 | 109.2° | 109.5° |
| C42 | C43 | H43 | 110.3° | 109.4° |
| H422 | C42 | H421 | 98.0° | 109.5° |
| C44 | C43 | C45 | 110.8° | 109.5° |
| C44 | C43 | H43 | 108.6° | 109.4° |
| C43 | C44 | H443 | 109.3° | 109.4° |
| C43 | C44 | H442 | 112.2° | 109.5° |
| C43 | C44 | H441 | 112.2° | 109.5° |
| C45 | C43 | H43 | 108.7° | 109.5° |
| C43 | C45 | C46 | 110.2° | 109.5° |
| C43 | C45 | H452 | 111.9° | 109.5° |
| C43 | C45 | H451 | 112.0° | 109.4° |
| H443 | C44 | H442 | 112.3° | 109.5° |
| H443 | C44 | H441 | 112.3° | 109.5° |
| H442 | C44 | H441 | 98.2° | 109.5° |
| C46 | C45 | H452 | 111.9° | 109.4° |
| C46 | C45 | H451 | 111.9° | 109.4° |
| C45 | C46 | C47 | 109.2° | 109.5° |
| C45 | C46 | H462 | 112.3° | 109.4° |
| C45 | C46 | H461 | 112.3° | 109.5° |
| H452 | C45 | H451 | 98.5° | 109.5° |
| C47 | C46 | H462 | 112.3° | 109.4° |
| C47 | C46 | H461 | 112.3° | 109.5° |
| C46 | C47 | C48 | 109.4° | 109.5° |
| C46 | C47 | H472 | 112.3° | 109.5° |
| C46 | C47 | H471 | 112.2° | 109.5° |
| H462 | C46 | H461 | 98.1° | 109.5° |
| C48 | C47 | H472 | 112.2° | 109.4° |
| C48 | C47 | H471 | 112.2° | 109.5° |
| C47 | C48 | C49 | 107.9° | 109.4° |
| C47 | C48 | C50 | 109.0° | 109.5° |
| C47 | C48 | H48 | 110.9° | 109.5° |
| H472 | C47 | H471 | 98.2° | 109.4° |
| C49 | C48 | C50 | 109.7° | 109.4° |
| C49 | C48 | H48 | 110.2° | 109.5° |
| C48 | C49 | H493 | 107.9° | 109.5° |
| C48 | C49 | H492 | 112.8° | 109.4° |
| C48 | C49 | H491 | 112.8° | 109.5° |
| C50 | C48 | H48 | 109.1° | 109.5° |
| C48 | C50 | C51 | 110.8° | 109.5° |
| C48 | C50 | H502 | 111.7° | 109.4° |
| C48 | C50 | H501 | 111.7° | 109.4° |
| H493 | C49 | H492 | 112.8° | 109.5° |
| H493 | C49 | H491 | 112.7° | 109.5° |
| H492 | C49 | H491 | 97.7° | 109.5° |
| C51 | C50 | H502 | 111.8° | 109.5° |
| C51 | C50 | H501 | 111.7° | 109.5° |
| C50 | C51 | C52 | 110.2° | 109.5° |
| C50 | C51 | H512 | 111.9° | 109.4° |
| C50 | C51 | H511 | 112.0° | 109.5° |
| H502 | C50 | H501 | 98.7° | 109.5° |
| C52 | C51 | H512 | 111.9° | 109.4° |
| C52 | C51 | H511 | 111.9° | 109.4° |
| C51 | C52 | C53 | 109.3° | 109.5° |
| C51 | C52 | H522 | 112.3° | 109.4° |
| C51 | C52 | H521 | 112.3° | 109.5° |
| H512 | C51 | H511 | 98.5° | 109.5° |
| C53 | C52 | H522 | 112.3° | 109.5° |
| C53 | C52 | H521 | 112.3° | 109.4° |
| C52 | C53 | C54 | 109.8° | 109.5° |
| C52 | C53 | C55 | 109.4° | 109.5° |
| C52 | C53 | H53 | 109.4° | 109.4° |
| H522 | C52 | H521 | 98.1° | 109.4° |
| C54 | C53 | C55 | 109.7° | 109.5° |
| C54 | C53 | H53 | 109.1° | 109.5° |
| C53 | C54 | H543 | 109.8° | 109.5° |
| C53 | C54 | H542 | 112.0° | 109.4° |
| C53 | C54 | H541 | 112.0° | 109.5° |
| C55 | C53 | H53 | 109.5° | 109.4° |
| C53 | C55 | C56 | 109.8° | 109.5° |
| C53 | C55 | H552 | 112.1° | 109.5° |
| C53 | C55 | H551 | 112.1° | 109.4° |
| H543 | C54 | H542 | 112.1° | 109.5° |
| H543 | C54 | H541 | 112.1° | 109.5° |
| H542 | C54 | H541 | 98.4° | 109.5° |
| C56 | C55 | H552 | 112.1° | 109.5° |
| C56 | C55 | H551 | 112.1° | 109.4° |
| C55 | C56 | C57 | 110.0° | 109.5° |
| C55 | C56 | H562 | 112.0° | 109.5° |
| C55 | C56 | H561 | 112.0° | 109.4° |
| H552 | C55 | H551 | 98.3° | 109.5° |
| C57 | C56 | H562 | 112.0° | 109.5° |
| C57 | C56 | H561 | 112.0° | 109.4° |
| C56 | C57 | C58 | 109.7° | 109.5° |
| C56 | C57 | H572 | 112.1° | 109.5° |
| C56 | C57 | H571 | 112.1° | 109.5° |
| H562 | C56 | H561 | 98.5° | 109.6° |
| C58 | C57 | H572 | 112.2° | 109.5° |
| C58 | C57 | H571 | 112.1° | 109.4° |
| C57 | C58 | C59 | 109.8° | 109.5° |
| C57 | C58 | C60 | 109.6° | 109.5° |
| C57 | C58 | H58 | 109.4° | 109.5° |
| H572 | C57 | H571 | 98.2° | 109.4° |
| C59 | C58 | C60 | 110.0° | 109.5° |
| C59 | C58 | H58 | 108.9° | 109.5° |
| C58 | C59 | H593 | 109.9° | 109.5° |
| C58 | C59 | H592 | 112.1° | 109.5° |
| C58 | C59 | H591 | 112.1° | 109.4° |
| C60 | C58 | H58 | 109.2° | 109.4° |
| C58 | C60 | H603 | 109.5° | 109.4° |
| C58 | C60 | H602 | 112.2° | 109.5° |
| C58 | C60 | H601 | 112.2° | 109.5° |
| H593 | C59 | H592 | 112.0° | 109.5° |
| H593 | C59 | H591 | 112.1° | 109.5° |
| H592 | C59 | H591 | 98.3° | 109.5° |
| H603 | C60 | H602 | 112.2° | 109.4° |
| H603 | C60 | H601 | 112.2° | 109.4° |
| H602 | C60 | H601 | 98.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H12 | 125.3° | 119.9° |
| O1 | C1 | C2 | H11 | 125.2° | 120.0° |
| O1 | C1 | H12 | H11 | 117.7° | 120.0° |
| O1 | C1 | C2 | O2 | 63.6° | 60.0° |
| O1 | C1 | C2 | C3 | 174.9° | 180.0° |
| O1 | C1 | C2 | H2 | 54.7° | 60.0° |
| C1 | O1 | C11 | C12 | 75.1° | 180.0° |
| C1 | O1 | C11 | H112 | 50.2° | 60.0° |
| C1 | O1 | C11 | H111 | 159.6° | 60.0° |
| C2 | C1 | H12 | H11 | 117.8° | 120.1° |
| C2 | C1 | O1 | C11 | 151.7° | 179.9° |
| C1 | C2 | O2 | C3 | 120.5° | 120.0° |
| C1 | C2 | O2 | H2 | 119.3° | 120.0° |
| C1 | C2 | C3 | H2 | 119.4° | 120.0° |
| C1 | C2 | O2 | C41 | 179.3° | 150.0° |
| C1 | C2 | C3 | O3 | 159.8° | 59.9° |
| C1 | C2 | C3 | H32 | 34.5° | 180.0° |
| C1 | C2 | C3 | H31 | 74.9° | 60.0° |
| H12 | C1 | O1 | C11 | 83.0° | 60.0° |
| H12 | C1 | C2 | O2 | 171.2° | 180.0° |
| H12 | C1 | C2 | C3 | 49.7° | 60.1° |
| H12 | C1 | C2 | H2 | 70.5° | 59.9° |
| H11 | C1 | O1 | C11 | 26.4° | 60.0° |
| H11 | C1 | C2 | O2 | 61.7° | 60.0° |
| H11 | C1 | C2 | C3 | 59.8° | 59.9° |
| H11 | C1 | C2 | H2 | 180.0° | 180.0° |
| O1 | C11 | C12 | H112 | 125.3° | 120.1° |
| O1 | C11 | C12 | H111 | 125.3° | 119.9° |
| O1 | C11 | H112 | H111 | 118.0° | 120.0° |
| O1 | C11 | C12 | C13 | 156.3° | 180.0° |
| O1 | C11 | C12 | H122 | 78.5° | 59.9° |
| O1 | C11 | C12 | H121 | 31.0° | 60.1° |
| O2 | C2 | C3 | H2 | 118.4° | 120.0° |
| O2 | C2 | C3 | O3 | 78.0° | 60.1° |
| O2 | C2 | C3 | H32 | 156.7° | 60.1° |
| O2 | C2 | C3 | H31 | 47.2° | 180.0° |
| C2 | O2 | C41 | C42 | 112.6° | 180.0° |
| C2 | O2 | C41 | H412 | 12.6° | 59.9° |
| C2 | O2 | C41 | H411 | 122.2° | 60.1° |
| C3 | C2 | O2 | C41 | 58.8° | 90.1° |
| C2 | C3 | O3 | H32 | 125.3° | 120.1° |
| C2 | C3 | O3 | H31 | 125.3° | 119.9° |
| C2 | C3 | H32 | H31 | 117.9° | 119.9° |
| C2 | C3 | O3 | P | 98.0° | 180.0° |
| H2 | C2 | O2 | C41 | 61.3° | 30.0° |
| H2 | C2 | C3 | O3 | 40.4° | 179.9° |
| H2 | C2 | C3 | H32 | 84.9° | 59.9° |
| H2 | C2 | C3 | H31 | 165.6° | 60.0° |
| O2 | C41 | C42 | H412 | 125.2° | 120.0° |
| O2 | C41 | C42 | H411 | 125.2° | 119.9° |
| O2 | C41 | H412 | H411 | 117.7° | 119.9° |
| O2 | C41 | C42 | C43 | 150.2° | 180.0° |
| O2 | C41 | C42 | H422 | 25.0° | 59.9° |
| O2 | C41 | C42 | H421 | 84.5° | 60.0° |
| O3 | C3 | H32 | H31 | 118.0° | 120.0° |
| C3 | O3 | P | O1P | 177.5° | 60.1° |
| C3 | O3 | P | O2P | 63.1° | 180.0° |
| C3 | O3 | P | O3P | 57.0° | 59.9° |
| H32 | C3 | O3 | P | 27.2° | 59.9° |
| H31 | C3 | O3 | P | 136.7° | 60.1° |
| O3 | P | O1P | O2P | 120.1° | 120.0° |
| O3 | P | O1P | O3P | 121.2° | 120.1° |
| O3 | P | O2P | O3P | 121.2° | 120.1° |
| O3 | P | O2P | HOP2 | 180.0° | 180.0° |
| O3 | P | O3P | HOP3 | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 119.0° | 119.9° |
| O1P | P | O2P | HOP2 | 60.2° | 60.0° |
| O1P | P | O3P | HOP3 | 59.4° | 179.9° |
| O2P | P | O3P | HOP3 | 59.2° | 60.0° |
| O3P | P | O2P | HOP2 | 58.8° | 59.9° |
| C12 | C11 | H112 | H111 | 117.9° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 119.9° |
| C11 | C12 | H122 | H121 | 118.6° | 120.0° |
| C11 | C12 | C13 | C14 | 47.2° | 60.1° |
| C11 | C12 | C13 | C15 | 165.0° | 180.0° |
| C11 | C12 | C13 | H13 | 74.7° | 60.0° |
| H112 | C11 | C12 | C13 | 30.9° | 60.0° |
| H112 | C11 | C12 | H122 | 156.2° | 180.0° |
| H112 | C11 | C12 | H121 | 94.3° | 60.0° |
| H111 | C11 | C12 | C13 | 78.5° | 60.0° |
| H111 | C11 | C12 | H122 | 46.8° | 60.0° |
| H111 | C11 | C12 | H121 | 156.3° | 180.0° |
| C13 | C12 | H122 | H121 | 118.5° | 120.0° |
| C12 | C13 | C14 | C15 | 118.5° | 119.9° |
| C12 | C13 | C14 | H13 | 121.3° | 120.0° |
| C12 | C13 | C15 | H13 | 121.4° | 120.0° |
| C12 | C13 | C14 | H143 | 180.0° | 60.0° |
| C12 | C13 | C14 | H142 | 54.7° | 60.0° |
| C12 | C13 | C14 | H141 | 54.8° | 180.0° |
| C12 | C13 | C15 | C16 | 169.6° | 180.0° |
| C12 | C13 | C15 | H152 | 65.2° | 60.0° |
| C12 | C13 | C15 | H151 | 44.3° | 60.1° |
| H122 | C12 | C13 | C14 | 172.4° | 60.0° |
| H122 | C12 | C13 | C15 | 69.7° | 60.0° |
| H122 | C12 | C13 | H13 | 50.5° | 180.0° |
| H121 | C12 | C13 | C14 | 78.1° | 180.0° |
| H121 | C12 | C13 | C15 | 39.7° | 60.1° |
| H121 | C12 | C13 | H13 | 160.0° | 60.0° |
| C14 | C13 | C15 | H13 | 122.0° | 120.0° |
| C13 | C14 | H143 | H142 | 125.3° | 120.0° |
| C13 | C14 | H143 | H141 | 125.2° | 120.0° |
| C13 | C14 | H142 | H141 | 119.1° | 120.0° |
| C14 | C13 | C15 | C16 | 53.0° | 60.1° |
| C14 | C13 | C15 | H152 | 178.2° | 60.0° |
| C14 | C13 | C15 | H151 | 72.3° | 180.0° |
| C15 | C13 | C14 | H143 | 61.5° | 60.0° |
| C15 | C13 | C14 | H142 | 63.8° | 180.0° |
| C15 | C13 | C14 | H141 | 173.3° | 60.0° |
| C13 | C15 | C16 | H152 | 125.2° | 120.0° |
| C13 | C15 | C16 | H151 | 125.3° | 119.9° |
| C13 | C15 | H152 | H151 | 117.9° | 120.0° |
| C13 | C15 | C16 | C17 | 165.8° | 180.0° |
| C13 | C15 | C16 | H162 | 40.5° | 60.0° |
| C13 | C15 | C16 | H161 | 69.0° | 60.0° |
| H13 | C13 | C14 | H143 | 58.7° | 180.0° |
| H13 | C13 | C14 | H142 | 176.0° | 60.0° |
| H13 | C13 | C14 | H141 | 66.5° | 60.0° |
| H13 | C13 | C15 | C16 | 69.0° | 60.0° |
| H13 | C13 | C15 | H152 | 56.2° | 180.0° |
| H13 | C13 | C15 | H151 | 165.7° | 60.0° |
| H143 | C14 | H142 | H141 | 119.1° | 120.0° |
| C16 | C15 | H152 | H151 | 117.8° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | H162 | H161 | 118.5° | 120.0° |
| C15 | C16 | C17 | C18 | 85.3° | 180.0° |
| C15 | C16 | C17 | H172 | 40.0° | 60.0° |
| C15 | C16 | C17 | H171 | 149.5° | 60.1° |
| H152 | C15 | C16 | C17 | 69.0° | 60.0° |
| H152 | C15 | C16 | H162 | 165.7° | 180.0° |
| H152 | C15 | C16 | H161 | 56.3° | 60.0° |
| H151 | C15 | C16 | C17 | 40.5° | 60.1° |
| H151 | C15 | C16 | H162 | 84.8° | 60.0° |
| H151 | C15 | C16 | H161 | 165.7° | 179.9° |
| C17 | C16 | H162 | H161 | 118.4° | 120.0° |
| C16 | C17 | C18 | H172 | 125.3° | 120.1° |
| C16 | C17 | C18 | H171 | 125.2° | 119.9° |
| C16 | C17 | H172 | H171 | 118.5° | 120.0° |
| C16 | C17 | C18 | C19 | 78.6° | 60.0° |
| C16 | C17 | C18 | C20 | 164.1° | 180.0° |
| C16 | C17 | C18 | H18 | 43.3° | 60.0° |
| H162 | C16 | C17 | C18 | 149.4° | 60.0° |
| H162 | C16 | C17 | H172 | 85.4° | 180.0° |
| H162 | C16 | C17 | H171 | 24.1° | 60.0° |
| H161 | C16 | C17 | C18 | 40.0° | 60.0° |
| H161 | C16 | C17 | H172 | 165.2° | 60.0° |
| H161 | C16 | C17 | H171 | 85.3° | 180.0° |
| C18 | C17 | H172 | H171 | 118.5° | 120.0° |
| C17 | C18 | C19 | C20 | 118.9° | 120.0° |
| C17 | C18 | C19 | H18 | 120.4° | 120.0° |
| C17 | C18 | C20 | H18 | 120.4° | 120.0° |
| C17 | C18 | C19 | H193 | 180.0° | 60.0° |
| C17 | C18 | C19 | H192 | 54.7° | 60.0° |
| C17 | C18 | C19 | H191 | 54.8° | 180.0° |
| C17 | C18 | C20 | C21 | 151.9° | 180.0° |
| C17 | C18 | C20 | H202 | 26.7° | 59.9° |
| C17 | C18 | C20 | H201 | 82.8° | 60.0° |
| H172 | C17 | C18 | C19 | 156.2° | 60.1° |
| H172 | C17 | C18 | C20 | 38.8° | 59.9° |
| H172 | C17 | C18 | H18 | 82.0° | 179.9° |
| H171 | C17 | C18 | C19 | 46.7° | 179.9° |
| H171 | C17 | C18 | C20 | 70.6° | 60.1° |
| H171 | C17 | C18 | H18 | 168.5° | 59.9° |
| C19 | C18 | C20 | H18 | 121.8° | 120.0° |
| C18 | C19 | H193 | H192 | 125.3° | 120.1° |
| C18 | C19 | H193 | H191 | 125.3° | 120.0° |
| C18 | C19 | H192 | H191 | 118.6° | 120.0° |
| C19 | C18 | C20 | C21 | 90.3° | 60.0° |
| C19 | C18 | C20 | H202 | 144.4° | 60.1° |
| C19 | C18 | C20 | H201 | 34.9° | 180.0° |
| C20 | C18 | C19 | H193 | 61.1° | 60.0° |
| C20 | C18 | C19 | H192 | 64.2° | 180.0° |
| C20 | C18 | C19 | H191 | 173.7° | 60.0° |
| C18 | C20 | C21 | H202 | 125.3° | 120.1° |
| C18 | C20 | C21 | H201 | 125.2° | 120.0° |
| C18 | C20 | H202 | H201 | 118.4° | 119.9° |
| C18 | C20 | C21 | C22 | 155.3° | 180.0° |
| C18 | C20 | C21 | H212 | 30.0° | 59.9° |
| C18 | C20 | C21 | H211 | 79.5° | 60.0° |
| H18 | C18 | C19 | H193 | 59.6° | 179.9° |
| H18 | C18 | C19 | H192 | 175.1° | 60.0° |
| H18 | C18 | C19 | H191 | 65.6° | 60.0° |
| H18 | C18 | C20 | C21 | 31.5° | 60.0° |
| H18 | C18 | C20 | H202 | 93.8° | 179.9° |
| H18 | C18 | C20 | H201 | 156.7° | 60.1° |
| H193 | C19 | H192 | H191 | 118.4° | 120.0° |
| C21 | C20 | H202 | H201 | 118.4° | 120.0° |
| C20 | C21 | C22 | H212 | 125.3° | 120.0° |
| C20 | C21 | C22 | H211 | 125.3° | 120.0° |
| C20 | C21 | H212 | H211 | 118.1° | 119.9° |
| C20 | C21 | C22 | C23 | 100.3° | 180.0° |
| C20 | C21 | C22 | H222 | 134.5° | 59.9° |
| C20 | C21 | C22 | H221 | 24.9° | 60.0° |
| H202 | C20 | C21 | C22 | 79.5° | 59.9° |
| H202 | C20 | C21 | H212 | 155.3° | 180.0° |
| H202 | C20 | C21 | H211 | 45.8° | 60.1° |
| H201 | C20 | C21 | C22 | 30.0° | 60.0° |
| H201 | C20 | C21 | H212 | 95.2° | 60.1° |
| H201 | C20 | C21 | H211 | 155.3° | 180.0° |
| C22 | C21 | H212 | H211 | 118.0° | 120.0° |
| C21 | C22 | C23 | H222 | 125.2° | 120.1° |
| C21 | C22 | C23 | H221 | 125.3° | 120.0° |
| C21 | C22 | H222 | H221 | 118.6° | 119.9° |
| C21 | C22 | C23 | C24 | 116.7° | 60.0° |
| C21 | C22 | C23 | C25 | 124.0° | 180.0° |
| C21 | C22 | C23 | H23 | 4.0° | 60.0° |
| H212 | C21 | C22 | C23 | 24.9° | 60.0° |
| H212 | C21 | C22 | H222 | 100.3° | 180.0° |
| H212 | C21 | C22 | H221 | 150.1° | 60.1° |
| H211 | C21 | C22 | C23 | 134.4° | 60.0° |
| H211 | C21 | C22 | H222 | 9.1° | 60.1° |
| H211 | C21 | C22 | H221 | 100.4° | 180.0° |
| C23 | C22 | H222 | H221 | 118.5° | 120.0° |
| C22 | C23 | C24 | C25 | 120.5° | 120.0° |
| C22 | C23 | C24 | H23 | 119.5° | 120.0° |
| C22 | C23 | C25 | H23 | 119.5° | 120.0° |
| C22 | C23 | C24 | H243 | 180.0° | 60.0° |
| C22 | C23 | C24 | H242 | 54.8° | 60.0° |
| C22 | C23 | C24 | H241 | 54.8° | 180.0° |
| C22 | C23 | C25 | C26 | 168.1° | NaN° |
| C22 | C23 | C25 | H252 | 42.8° | 60.0° |
| C22 | C23 | C25 | H251 | 66.7° | 60.0° |
| H222 | C22 | C23 | C24 | 118.0° | 60.0° |
| H222 | C22 | C23 | C25 | 1.2° | 60.0° |
| H222 | C22 | C23 | H23 | 121.3° | 180.0° |
| H221 | C22 | C23 | C24 | 8.5° | 180.0° |
| H221 | C22 | C23 | C25 | 110.7° | 60.0° |
| H221 | C22 | C23 | H23 | 129.2° | 60.0° |
| C24 | C23 | C25 | H23 | 120.7° | 120.0° |
| C23 | C24 | H243 | H242 | 125.3° | 119.9° |
| C23 | C24 | H243 | H241 | 125.2° | 120.0° |
| C23 | C24 | H242 | H241 | 118.3° | 120.0° |
| C24 | C23 | C25 | C26 | 72.1° | 60.0° |
| C24 | C23 | C25 | H252 | 162.6° | 60.0° |
| C24 | C23 | C25 | H251 | 53.1° | 180.0° |
| C25 | C23 | C24 | H243 | 59.5° | 60.0° |
| C25 | C23 | C24 | H242 | 65.8° | 180.0° |
| C25 | C23 | C24 | H241 | 175.4° | 60.0° |
| C23 | C25 | C26 | H252 | 125.3° | 120.0° |
| C23 | C25 | C26 | H251 | 125.3° | 120.0° |
| C23 | C25 | H252 | H251 | 118.2° | 120.0° |
| C23 | C25 | C26 | C27 | 154.4° | 180.0° |
| C23 | C25 | C26 | H262 | 80.4° | 60.0° |
| C23 | C25 | C26 | H261 | 29.1° | 60.0° |
| H23 | C23 | C24 | H243 | 60.5° | 180.0° |
| H23 | C23 | C24 | H242 | 174.2° | 60.0° |
| H23 | C23 | C24 | H241 | 64.7° | 60.0° |
| H23 | C23 | C25 | C26 | 48.6° | 60.0° |
| H23 | C23 | C25 | H252 | 76.6° | 180.0° |
| H23 | C23 | C25 | H251 | 173.8° | 60.0° |
| H243 | C24 | H242 | H241 | 118.1° | 120.0° |
| C26 | C25 | H252 | H251 | 118.1° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.1° |
| C25 | C26 | C27 | H261 | 125.3° | 120.0° |
| C25 | C26 | H262 | H261 | 117.8° | 120.0° |
| C25 | C26 | C27 | C28 | 116.2° | 180.0° |
| C25 | C26 | C27 | H272 | 9.1° | 60.0° |
| C25 | C26 | C27 | H271 | 118.6° | 60.0° |
| H252 | C25 | C26 | C27 | 29.1° | 60.0° |
| H252 | C25 | C26 | H262 | 154.4° | 180.0° |
| H252 | C25 | C26 | H261 | 96.2° | 60.0° |
| H251 | C25 | C26 | C27 | 80.3° | 60.0° |
| H251 | C25 | C26 | H262 | 44.9° | 60.0° |
| H251 | C25 | C26 | H261 | 154.4° | 180.0° |
| C27 | C26 | H262 | H261 | 117.7° | 120.0° |
| C26 | C27 | C28 | H272 | 125.3° | 120.0° |
| C26 | C27 | C28 | H271 | 125.2° | 119.9° |
| C26 | C27 | H272 | H271 | 117.9° | 120.0° |
| C26 | C27 | C28 | C29 | 161.3° | 180.0° |
| C26 | C27 | C28 | C30 | 42.1° | 60.0° |
| C26 | C27 | C28 | H28 | 78.4° | 60.0° |
| H262 | C26 | C27 | C28 | 118.5° | 59.9° |
| H262 | C26 | C27 | H272 | 116.2° | 180.0° |
| H262 | C26 | C27 | H271 | 6.7° | 60.0° |
| H261 | C26 | C27 | C28 | 9.1° | 60.0° |
| H261 | C26 | C27 | H272 | 134.4° | 60.0° |
| H261 | C26 | C27 | H271 | 116.1° | 180.0° |
| C28 | C27 | H272 | H271 | 117.9° | 120.0° |
| C27 | C28 | C29 | C30 | 120.4° | 120.0° |
| C27 | C28 | C29 | H28 | 119.2° | 120.0° |
| C27 | C28 | C30 | H28 | 119.1° | 120.0° |
| C27 | C28 | C29 | H293 | 180.0° | 180.0° |
| C27 | C28 | C29 | H292 | 54.7° | 60.0° |
| C27 | C28 | C29 | H291 | 54.8° | 60.0° |
| C27 | C28 | C30 | H303 | 180.0° | 60.0° |
| C27 | C28 | C30 | H302 | 54.8° | 60.0° |
| C27 | C28 | C30 | H301 | 54.7° | 180.0° |
| H272 | C27 | C28 | C29 | 73.4° | 60.0° |
| H272 | C27 | C28 | C30 | 167.3° | 60.0° |
| H272 | C27 | C28 | H28 | 46.9° | 180.0° |
| H271 | C27 | C28 | C29 | 36.1° | 60.0° |
| H271 | C27 | C28 | C30 | 83.2° | 179.9° |
| H271 | C27 | C28 | H28 | 156.4° | 60.0° |
| C29 | C28 | C30 | H28 | 120.3° | 120.0° |
| C28 | C29 | H293 | H292 | 125.3° | 120.0° |
| C28 | C29 | H293 | H291 | 125.3° | 120.1° |
| C28 | C29 | H292 | H291 | 117.8° | 120.0° |
| C29 | C28 | C30 | H303 | 59.4° | 60.0° |
| C29 | C28 | C30 | H302 | 65.8° | 180.0° |
| C29 | C28 | C30 | H301 | 175.3° | 60.0° |
| C30 | C28 | C29 | H293 | 59.6° | 60.0° |
| C30 | C28 | C29 | H292 | 175.1° | 180.0° |
| C30 | C28 | C29 | H291 | 65.6° | 60.1° |
| C28 | C30 | H303 | H302 | 125.2° | 120.0° |
| C28 | C30 | H303 | H301 | 125.3° | 120.0° |
| C28 | C30 | H302 | H301 | 118.0° | 120.1° |
| H28 | C28 | C29 | H293 | 60.9° | 59.9° |
| H28 | C28 | C29 | H292 | 64.4° | 60.0° |
| H28 | C28 | C29 | H291 | 173.9° | 180.0° |
| H28 | C28 | C30 | H303 | 60.9° | 180.0° |
| H28 | C28 | C30 | H302 | 173.9° | 60.0° |
| H28 | C28 | C30 | H301 | 64.4° | 60.0° |
| H293 | C29 | H292 | H291 | 117.7° | 120.0° |
| H303 | C30 | H302 | H301 | 117.9° | 120.0° |
| C42 | C41 | H412 | H411 | 117.6° | 120.0° |
| C41 | C42 | C43 | H422 | 125.3° | 120.0° |
| C41 | C42 | C43 | H421 | 125.3° | 120.0° |
| C41 | C42 | H422 | H421 | 118.4° | 120.0° |
| C41 | C42 | C43 | C44 | 63.3° | 60.0° |
| C41 | C42 | C43 | C45 | 175.3° | 180.0° |
| C41 | C42 | C43 | H43 | 56.0° | 60.0° |
| H412 | C41 | C42 | C43 | 84.6° | 60.0° |
| H412 | C41 | C42 | H422 | 150.2° | 180.0° |
| H412 | C41 | C42 | H421 | 40.7° | 60.0° |
| H411 | C41 | C42 | C43 | 25.0° | 60.0° |
| H411 | C41 | C42 | H422 | 100.3° | 60.0° |
| H411 | C41 | C42 | H421 | 150.3° | 180.0° |
| C43 | C42 | H422 | H421 | 118.4° | 119.9° |
| C42 | C43 | C44 | C45 | 120.4° | 120.1° |
| C42 | C43 | C44 | H43 | 120.3° | 119.9° |
| C42 | C43 | C45 | H43 | 120.3° | 120.0° |
| C42 | C43 | C44 | H443 | 180.0° | 60.1° |
| C42 | C43 | C44 | H442 | 54.8° | 59.9° |
| C42 | C43 | C44 | H441 | 54.7° | 179.9° |
| C42 | C43 | C45 | C46 | 114.3° | 180.0° |
| C42 | C43 | C45 | H452 | 10.9° | 60.0° |
| C42 | C43 | C45 | H451 | 120.4° | 60.0° |
| H422 | C42 | C43 | C44 | 171.5° | 180.0° |
| H422 | C42 | C43 | C45 | 50.1° | 60.0° |
| H422 | C42 | C43 | H43 | 69.2° | 60.1° |
| H421 | C42 | C43 | C44 | 62.0° | 60.1° |
| H421 | C42 | C43 | C45 | 59.4° | 60.0° |
| H421 | C42 | C43 | H43 | 178.7° | 180.0° |
| C44 | C43 | C45 | H43 | 119.3° | 119.9° |
| C43 | C44 | H443 | H442 | 125.2° | 120.0° |
| C43 | C44 | H443 | H441 | 125.2° | 120.0° |
| C43 | C44 | H442 | H441 | 118.2° | 120.1° |
| C44 | C43 | C45 | C46 | 125.2° | 60.0° |
| C44 | C43 | C45 | H452 | 109.5° | 180.0° |
| C44 | C43 | C45 | H451 | 0.0° | 60.0° |
| C45 | C43 | C44 | H443 | 59.6° | 60.0° |
| C45 | C43 | C44 | H442 | 65.6° | 180.0° |
| C45 | C43 | C44 | H441 | 175.1° | 60.0° |
| C43 | C45 | C46 | H452 | 125.2° | 120.1° |
| C43 | C45 | C46 | H451 | 125.3° | 120.0° |
| C43 | C45 | H452 | H451 | 117.9° | 120.0° |
| C43 | C45 | C46 | C47 | 49.1° | 180.0° |
| C43 | C45 | C46 | H462 | 174.3° | 60.0° |
| C43 | C45 | C46 | H461 | 76.2° | 60.0° |
| H43 | C43 | C44 | H443 | 59.7° | 180.0° |
| H43 | C43 | C44 | H442 | 175.1° | 60.0° |
| H43 | C43 | C44 | H441 | 65.6° | 60.0° |
| H43 | C43 | C45 | C46 | 6.0° | 60.0° |
| H43 | C43 | C45 | H452 | 131.2° | 60.0° |
| H43 | C43 | C45 | H451 | 119.3° | 180.0° |
| H443 | C44 | H442 | H441 | 118.3° | 120.0° |
| C46 | C45 | H452 | H451 | 117.8° | 119.9° |
| C45 | C46 | C47 | H462 | 125.3° | 120.0° |
| C45 | C46 | C47 | H461 | 125.3° | 120.0° |
| C45 | C46 | H462 | H461 | 118.3° | 120.0° |
| C45 | C46 | C47 | C48 | 179.9° | 180.0° |
| C45 | C46 | C47 | H472 | 54.6° | 60.0° |
| C45 | C46 | C47 | H471 | 54.9° | 60.0° |
| H452 | C45 | C46 | C47 | 76.1° | 60.0° |
| H452 | C45 | C46 | H462 | 49.1° | 179.9° |
| H452 | C45 | C46 | H461 | 158.6° | 60.0° |
| H451 | C45 | C46 | C47 | 174.4° | 60.0° |
| H451 | C45 | C46 | H462 | 60.4° | 60.0° |
| H451 | C45 | C46 | H461 | 49.1° | 180.0° |
| C47 | C46 | H462 | H461 | 118.2° | 120.0° |
| C46 | C47 | C48 | H472 | 125.3° | 120.0° |
| C46 | C47 | C48 | H471 | 125.2° | 120.1° |
| C46 | C47 | H472 | H471 | 118.2° | 120.0° |
| C46 | C47 | C48 | C49 | 144.8° | 60.0° |
| C46 | C47 | C48 | C50 | 96.2° | 180.0° |
| C46 | C47 | C48 | H48 | 24.0° | 59.9° |
| H462 | C46 | C47 | C48 | 54.8° | 60.1° |
| H462 | C46 | C47 | H472 | 179.9° | 180.0° |
| H462 | C46 | C47 | H471 | 70.4° | 60.0° |
| H461 | C46 | C47 | C48 | 54.6° | 60.0° |
| H461 | C46 | C47 | H472 | 70.7° | 60.0° |
| H461 | C46 | C47 | H471 | 179.8° | 180.0° |
| C48 | C47 | H472 | H471 | 118.1° | 120.0° |
| C47 | C48 | C49 | C50 | 118.6° | 120.0° |
| C47 | C48 | C49 | H48 | 121.2° | 120.0° |
| C47 | C48 | C50 | H48 | 121.3° | 120.1° |
| C47 | C48 | C49 | H493 | 180.0° | 60.0° |
| C47 | C48 | C49 | H492 | 54.8° | 60.0° |
| C47 | C48 | C49 | H491 | 54.8° | 180.0° |
| C47 | C48 | C50 | C51 | 123.2° | 180.0° |
| C47 | C48 | C50 | H502 | 2.1° | 60.0° |
| C47 | C48 | C50 | H501 | 111.6° | 59.9° |
| H472 | C47 | C48 | C49 | 89.9° | 179.9° |
| H472 | C47 | C48 | C50 | 29.1° | 60.0° |
| H472 | C47 | C48 | H48 | 149.3° | 60.1° |
| H471 | C47 | C48 | C49 | 19.5° | 60.0° |
| H471 | C47 | C48 | C50 | 138.6° | 59.9° |
| H471 | C47 | C48 | H48 | 101.2° | 180.0° |
| C49 | C48 | C50 | H48 | 120.8° | 120.0° |
| C48 | C49 | H493 | H492 | 125.3° | 119.9° |
| C48 | C49 | H493 | H491 | 125.3° | 120.0° |
| C48 | C49 | H492 | H491 | 118.8° | 120.0° |
| C49 | C48 | C50 | C51 | 118.9° | 60.0° |
| C49 | C48 | C50 | H502 | 115.8° | 179.9° |
| C49 | C48 | C50 | H501 | 6.4° | 60.0° |
| C50 | C48 | C49 | H493 | 61.4° | 60.0° |
| C50 | C48 | C49 | H492 | 63.9° | 180.0° |
| C50 | C48 | C49 | H491 | 173.4° | 60.0° |
| C48 | C50 | C51 | H502 | 125.3° | 120.0° |
| C48 | C50 | C51 | H501 | 125.2° | 120.0° |
| C48 | C50 | H502 | H501 | 117.6° | 119.9° |
| C48 | C50 | C51 | C52 | 105.3° | 180.0° |
| C48 | C50 | C51 | H512 | 19.9° | 60.1° |
| C48 | C50 | C51 | H511 | 129.4° | 60.0° |
| H48 | C48 | C49 | H493 | 58.8° | 180.0° |
| H48 | C48 | C49 | H492 | 176.0° | 60.0° |
| H48 | C48 | C49 | H491 | 66.5° | 60.0° |
| H48 | C48 | C50 | C51 | 1.9° | 59.9° |
| H48 | C48 | C50 | H502 | 123.4° | 60.1° |
| H48 | C48 | C50 | H501 | 127.2° | 180.0° |
| H493 | C49 | H492 | H491 | 118.6° | 120.1° |
| C51 | C50 | H502 | H501 | 117.7° | 120.0° |
| C50 | C51 | C52 | H512 | 125.2° | 120.0° |
| C50 | C51 | C52 | H511 | 125.3° | 120.0° |
| C50 | C51 | H512 | H511 | 117.9° | 120.0° |
| C50 | C51 | C52 | C53 | 114.9° | 180.0° |
| C50 | C51 | C52 | H522 | 10.3° | 60.0° |
| C50 | C51 | C52 | H521 | 119.8° | 60.0° |
| H502 | C50 | C51 | C52 | 129.4° | 60.0° |
| H502 | C50 | C51 | H512 | 105.4° | 180.0° |
| H502 | C50 | C51 | H511 | 4.1° | 60.0° |
| H501 | C50 | C51 | C52 | 19.9° | 60.0° |
| H501 | C50 | C51 | H512 | 145.1° | 59.9° |
| H501 | C50 | C51 | H511 | 105.4° | NaN° |
| C52 | C51 | H512 | H511 | 117.8° | 120.0° |
| C51 | C52 | C53 | H522 | 125.3° | 120.0° |
| C51 | C52 | C53 | H521 | 125.3° | 120.0° |
| C51 | C52 | H522 | H521 | 118.2° | 120.0° |
| C51 | C52 | C53 | C54 | 57.6° | 60.0° |
| C51 | C52 | C53 | C55 | 178.1° | 180.0° |
| C51 | C52 | C53 | H53 | 62.1° | 60.0° |
| H512 | C51 | C52 | C53 | 119.8° | 60.0° |
| H512 | C51 | C52 | H522 | 114.9° | 179.9° |
| H512 | C51 | C52 | H521 | 5.4° | 60.0° |
| H511 | C51 | C52 | C53 | 10.3° | 60.0° |
| H511 | C51 | C52 | H522 | 135.6° | 60.1° |
| H511 | C51 | C52 | H521 | 114.9° | 180.0° |
| C53 | C52 | H522 | H521 | 118.2° | 120.0° |
| C52 | C53 | C54 | C55 | 120.3° | 120.0° |
| C52 | C53 | C54 | H53 | 119.8° | 120.0° |
| C52 | C53 | C55 | H53 | 119.8° | 119.9° |
| C52 | C53 | C54 | H543 | 180.0° | 60.0° |
| C52 | C53 | C54 | H542 | 54.8° | 60.0° |
| C52 | C53 | C54 | H541 | 54.7° | 180.0° |
| C52 | C53 | C55 | C56 | 70.2° | 180.0° |
| C52 | C53 | C55 | H552 | 164.5° | 60.0° |
| C52 | C53 | C55 | H551 | 55.0° | 60.1° |
| H522 | C52 | C53 | C54 | 177.1° | 180.0° |
| H522 | C52 | C53 | C55 | 56.6° | 60.0° |
| H522 | C52 | C53 | H53 | 63.2° | 60.0° |
| H521 | C52 | C53 | C54 | 67.7° | 60.0° |
| H521 | C52 | C53 | C55 | 52.8° | 60.0° |
| H521 | C52 | C53 | H53 | 172.7° | 180.0° |
| C54 | C53 | C55 | H53 | 119.6° | 120.1° |
| C53 | C54 | H543 | H542 | 125.2° | 120.0° |
| C53 | C54 | H543 | H541 | 125.2° | 120.0° |
| C53 | C54 | H542 | H541 | 117.9° | 120.0° |
| C54 | C53 | C55 | C56 | 50.4° | 60.0° |
| C54 | C53 | C55 | H552 | 74.9° | 180.0° |
| C54 | C53 | C55 | H551 | 175.6° | 59.9° |
| C55 | C53 | C54 | H543 | 59.7° | 60.0° |
| C55 | C53 | C54 | H542 | 65.5° | 180.0° |
| C55 | C53 | C54 | H541 | 175.0° | 60.0° |
| C53 | C55 | C56 | H552 | 125.3° | 120.0° |
| C53 | C55 | C56 | H551 | 125.3° | 119.9° |
| C53 | C55 | H552 | H551 | 118.0° | 120.0° |
| C53 | C55 | C56 | C57 | 166.2° | 180.0° |
| C53 | C55 | C56 | H562 | 40.9° | 60.0° |
| C53 | C55 | C56 | H561 | 68.6° | 60.1° |
| H53 | C53 | C54 | H543 | 60.2° | 180.0° |
| H53 | C53 | C54 | H542 | 174.6° | 60.0° |
| H53 | C53 | C54 | H541 | 65.1° | 60.0° |
| H53 | C53 | C55 | C56 | 170.0° | 60.1° |
| H53 | C53 | C55 | H552 | 44.7° | 60.0° |
| H53 | C53 | C55 | H551 | 64.8° | 180.0° |
| H543 | C54 | H542 | H541 | 118.1° | 120.1° |
| C56 | C55 | H552 | H551 | 118.0° | 120.0° |
| C55 | C56 | C57 | H562 | 125.2° | 120.0° |
| C55 | C56 | C57 | H561 | 125.3° | 119.9° |
| C55 | C56 | H562 | H561 | 118.0° | 120.0° |
| C55 | C56 | C57 | C58 | 99.6° | 180.0° |
| C55 | C56 | C57 | H572 | 25.7° | 59.9° |
| C55 | C56 | C57 | H571 | 135.1° | 60.0° |
| H552 | C55 | C56 | C57 | 68.6° | 60.0° |
| H552 | C55 | C56 | H562 | 166.2° | 179.9° |
| H552 | C55 | C56 | H561 | 56.7° | 59.9° |
| H551 | C55 | C56 | C57 | 40.9° | 60.1° |
| H551 | C55 | C56 | H562 | 84.3° | 59.9° |
| H551 | C55 | C56 | H561 | 166.1° | 180.0° |
| C57 | C56 | H562 | H561 | 117.9° | 120.0° |
| C56 | C57 | C58 | H572 | 125.3° | 120.1° |
| C56 | C57 | C58 | H571 | 125.3° | 120.0° |
| C56 | C57 | H572 | H571 | 118.0° | 120.0° |
| C56 | C57 | C58 | C59 | 173.9° | 180.0° |
| C56 | C57 | C58 | C60 | 53.0° | 60.0° |
| C56 | C57 | C58 | H58 | 66.7° | 60.0° |
| H562 | C56 | C57 | C58 | 135.1° | 60.0° |
| H562 | C56 | C57 | H572 | 99.5° | 179.9° |
| H562 | C56 | C57 | H571 | 9.9° | 60.0° |
| H561 | C56 | C57 | C58 | 25.6° | 60.1° |
| H561 | C56 | C57 | H572 | 150.9° | 59.9° |
| H561 | C56 | C57 | H571 | 99.6° | 179.9° |
| C58 | C57 | H572 | H571 | 118.0° | 119.9° |
| C57 | C58 | C59 | C60 | 120.7° | 120.0° |
| C57 | C58 | C59 | H58 | 119.7° | 120.0° |
| C57 | C58 | C60 | H58 | 119.8° | 120.0° |
| C57 | C58 | C59 | H593 | 180.0° | 180.0° |
| C57 | C58 | C59 | H592 | 54.7° | 60.0° |
| C57 | C58 | C59 | H591 | 54.7° | 60.0° |
| C57 | C58 | C60 | H603 | 180.0° | 60.0° |
| C57 | C58 | C60 | H602 | 54.8° | 59.9° |
| C57 | C58 | C60 | H601 | 54.7° | 180.0° |
| H572 | C57 | C58 | C59 | 60.8° | 59.9° |
| H572 | C57 | C58 | C60 | 178.3° | 179.9° |
| H572 | C57 | C58 | H58 | 58.6° | 60.1° |
| H571 | C57 | C58 | C59 | 48.6° | 60.0° |
| H571 | C57 | C58 | C60 | 72.3° | 60.0° |
| H571 | C57 | C58 | H58 | 168.0° | 180.0° |
| C59 | C58 | C60 | H58 | 119.4° | 120.0° |
| C58 | C59 | H593 | H592 | 125.3° | 120.0° |
| C58 | C59 | H593 | H591 | 125.3° | 120.0° |
| C58 | C59 | H592 | H591 | 118.0° | 120.0° |
| C59 | C58 | C60 | H603 | 59.1° | 60.0° |
| C59 | C58 | C60 | H602 | 66.1° | 180.0° |
| C59 | C58 | C60 | H601 | 175.6° | 60.0° |
| C60 | C58 | C59 | H593 | 59.4° | 60.0° |
| C60 | C58 | C59 | H592 | 175.4° | 180.0° |
| C60 | C58 | C59 | H591 | 66.0° | 60.0° |
| C58 | C60 | H603 | H602 | 125.2° | 120.0° |
| C58 | C60 | H603 | H601 | 125.3° | 120.0° |
| C58 | C60 | H602 | H601 | 118.1° | 120.1° |
| H58 | C58 | C59 | H593 | 60.3° | 59.9° |
| H58 | C58 | C59 | H592 | 65.0° | 60.0° |
| H58 | C58 | C59 | H591 | 174.4° | 180.0° |
| H58 | C58 | C60 | H603 | 60.3° | 180.0° |
| H58 | C58 | C60 | H602 | 174.5° | 60.1° |
| H58 | C58 | C60 | H601 | 65.0° | 60.0° |
| H593 | C59 | H592 | H591 | 117.9° | 120.0° |
| H603 | C60 | H602 | H601 | 118.2° | 119.9° |
