PC7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C48 | C47 | sing | 1.53Å | 1.52Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C45 | C44 | sing | 1.53Å | 1.55Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.53Å | 1.55Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.51Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C31 | O31 | doub | 1.21Å | 1.24Å | |
| C31 | O2 | sing | 1.34Å | 1.37Å | |
| O2 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.57Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | O3P | sing | 1.43Å | 1.46Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O3P | P | sing | 1.61Å | 1.63Å | |
| P | O1P | sing | 1.61Å | 1.46Å | |
| P | O2P | doub | 1.48Å | 1.48Å | |
| P | O4P | sing | 1.61Å | 1.64Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| O4P | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | N | sing | 1.47Å | 1.47Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| N | C7 | sing | 1.47Å | 1.47Å | |
| N | C8 | sing | 1.47Å | 1.46Å | |
| N | C6 | sing | 1.47Å | 1.48Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.45Å | 1.46Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O3 | C11 | sing | 1.34Å | 1.38Å | |
| C11 | O11 | doub | 1.21Å | 1.24Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C47 | C48 | H481 | 109.5° | 109.5° |
| C47 | C48 | H482 | 109.5° | 109.5° |
| C47 | C48 | H483 | 109.5° | 109.5° |
| C48 | C47 | C46 | 109.5° | 109.5° |
| C48 | C47 | H471 | 109.4° | 109.4° |
| C48 | C47 | H472 | 109.5° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H481 | C48 | H483 | 109.5° | 109.4° |
| H482 | C48 | H483 | 109.5° | 109.5° |
| C46 | C47 | H471 | 109.4° | 109.5° |
| C46 | C47 | H472 | 109.4° | 109.5° |
| C47 | C46 | C45 | 113.8° | 109.5° |
| C47 | C46 | H461 | 107.1° | 109.4° |
| C47 | C46 | H462 | 108.1° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.4° |
| C45 | C46 | H461 | 107.0° | 109.5° |
| C45 | C46 | H462 | 108.0° | 109.5° |
| C46 | C45 | C44 | 112.9° | 109.5° |
| C46 | C45 | H451 | 107.5° | 109.5° |
| C46 | C45 | H452 | 108.3° | 109.5° |
| H461 | C46 | H462 | 112.9° | 109.5° |
| C44 | C45 | H451 | 107.6° | 109.5° |
| C44 | C45 | H452 | 108.3° | 109.5° |
| C45 | C44 | C43 | 114.6° | 109.5° |
| C45 | C44 | H441 | 106.6° | 109.4° |
| C45 | C44 | H442 | 107.8° | 109.5° |
| H451 | C45 | H452 | 112.2° | 109.4° |
| C43 | C44 | H441 | 106.6° | 109.5° |
| C43 | C44 | H442 | 107.8° | 109.5° |
| C44 | C43 | C42 | 113.8° | 109.5° |
| C44 | C43 | H431 | 107.1° | 109.4° |
| C44 | C43 | H432 | 108.1° | 109.5° |
| H441 | C44 | H442 | 113.5° | 109.5° |
| C42 | C43 | H431 | 107.1° | 109.5° |
| C42 | C43 | H432 | 108.0° | 109.4° |
| C43 | C42 | C41 | 108.6° | 109.5° |
| C43 | C42 | H421 | 110.0° | 109.5° |
| C43 | C42 | H422 | 109.8° | 109.4° |
| H431 | C43 | H432 | 112.9° | 109.5° |
| C41 | C42 | H421 | 110.0° | 109.5° |
| C41 | C42 | H422 | 109.8° | 109.5° |
| C42 | C41 | C40 | 113.5° | 109.5° |
| C42 | C41 | H411 | 107.2° | 109.5° |
| C42 | C41 | H412 | 108.2° | 109.5° |
| H421 | C42 | H422 | 108.8° | 109.5° |
| C40 | C41 | H411 | 107.2° | 109.5° |
| C40 | C41 | H412 | 108.1° | 109.4° |
| C41 | C40 | C39 | 109.8° | 109.5° |
| C41 | C40 | H401 | 109.3° | 109.5° |
| C41 | C40 | H402 | 109.4° | 109.4° |
| H411 | C41 | H412 | 112.7° | 109.5° |
| C39 | C40 | H401 | 109.3° | 109.5° |
| C39 | C40 | H402 | 109.4° | 109.4° |
| C40 | C39 | C38 | 113.7° | 109.5° |
| C40 | C39 | H391 | 107.2° | 109.5° |
| C40 | C39 | H392 | 108.1° | 109.5° |
| H401 | C40 | H402 | 109.7° | 109.5° |
| C38 | C39 | H391 | 107.1° | 109.5° |
| C38 | C39 | H392 | 108.1° | 109.4° |
| C39 | C38 | C37 | 114.2° | 109.5° |
| C39 | C38 | H381 | 106.9° | 109.4° |
| C39 | C38 | H382 | 107.9° | 109.5° |
| H391 | C39 | H392 | 112.8° | 109.4° |
| C37 | C38 | H381 | 106.9° | 109.5° |
| C37 | C38 | H382 | 107.9° | 109.5° |
| C38 | C37 | C36 | 108.3° | 109.5° |
| C38 | C37 | H371 | 110.1° | 109.4° |
| C38 | C37 | H372 | 109.9° | 109.5° |
| H381 | C38 | H382 | 113.2° | 109.4° |
| C36 | C37 | H371 | 110.1° | 109.5° |
| C36 | C37 | H372 | 109.9° | 109.5° |
| C37 | C36 | C35 | 114.7° | 109.5° |
| C37 | C36 | H361 | 106.6° | 109.4° |
| C37 | C36 | H362 | 107.8° | 109.5° |
| H371 | C37 | H372 | 108.6° | 109.5° |
| C35 | C36 | H361 | 106.6° | 109.5° |
| C35 | C36 | H362 | 107.8° | 109.5° |
| C36 | C35 | C34 | 109.6° | 109.5° |
| C36 | C35 | H351 | 109.4° | 109.4° |
| C36 | C35 | H352 | 109.5° | 109.5° |
| H361 | C36 | H362 | 113.6° | 109.5° |
| C34 | C35 | H351 | 109.4° | 109.5° |
| C34 | C35 | H352 | 109.4° | 109.5° |
| C35 | C34 | C33 | 110.6° | 109.4° |
| C35 | C34 | H341 | 108.9° | 109.4° |
| C35 | C34 | H342 | 109.1° | 109.5° |
| H351 | C35 | H352 | 109.6° | 109.4° |
| C33 | C34 | H341 | 108.9° | 109.5° |
| C33 | C34 | H342 | 109.1° | 109.5° |
| C34 | C33 | C32 | 111.7° | 109.4° |
| C34 | C33 | H331 | 108.3° | 109.5° |
| C34 | C33 | H332 | 108.8° | 109.5° |
| H341 | C34 | H342 | 110.3° | 109.5° |
| C32 | C33 | H331 | 108.2° | 109.5° |
| C32 | C33 | H332 | 108.7° | 109.5° |
| C33 | C32 | C31 | 114.7° | 109.5° |
| C33 | C32 | H321 | 106.6° | 109.4° |
| C33 | C32 | H322 | 107.8° | 109.5° |
| H331 | C33 | H332 | 111.2° | 109.5° |
| C31 | C32 | H321 | 106.6° | 109.5° |
| C31 | C32 | H322 | 107.8° | 109.5° |
| C32 | C31 | O31 | 122.0° | 120.0° |
| C32 | C31 | O2 | 118.5° | 120.0° |
| H321 | C32 | H322 | 113.6° | 109.5° |
| O31 | C31 | O2 | 119.4° | 120.0° |
| C31 | O2 | C2 | 111.7° | 120.0° |
| O2 | C2 | C1 | 111.7° | 109.5° |
| O2 | C2 | C3 | 111.9° | 109.4° |
| O2 | C2 | H2 | 107.5° | 109.5° |
| C1 | C2 | C3 | 113.1° | 109.5° |
| C1 | C2 | H2 | 106.2° | 109.5° |
| C2 | C1 | O3P | 115.1° | 109.5° |
| C2 | C1 | H11 | 106.3° | 109.5° |
| C2 | C1 | H12 | 107.6° | 109.5° |
| C3 | C2 | H2 | 105.9° | 109.5° |
| C2 | C3 | O3 | 111.4° | 109.4° |
| C2 | C3 | H31 | 108.4° | 109.4° |
| C2 | C3 | H32 | 108.8° | 109.5° |
| O3P | C1 | H11 | 106.3° | 109.4° |
| O3P | C1 | H12 | 107.6° | 109.5° |
| C1 | O3P | P | 119.7° | 106.8° |
| H11 | C1 | H12 | 114.0° | 109.5° |
| O3P | P | O1P | 106.6° | 109.4° |
| O3P | P | O2P | 110.3° | 109.5° |
| O3P | P | O4P | 102.7° | 109.5° |
| O1P | P | O2P | 119.3° | 109.5° |
| O1P | P | O4P | 110.2° | 109.4° |
| P | O1P | HO1P | 109.5° | 106.8° |
| O2P | P | O4P | 106.5° | 109.5° |
| P | O4P | C4 | 121.7° | 106.8° |
| O4P | C4 | C5 | 110.4° | 109.5° |
| O4P | C4 | H41 | 109.0° | 109.5° |
| O4P | C4 | H42 | 109.2° | 109.5° |
| C5 | C4 | H41 | 109.0° | 109.5° |
| C5 | C4 | H42 | 109.1° | 109.4° |
| C4 | C5 | N | 110.5° | 109.4° |
| C4 | C5 | H51 | 108.9° | 109.5° |
| C4 | C5 | H52 | 109.1° | 109.5° |
| H41 | C4 | H42 | 110.2° | 109.5° |
| N | C5 | H51 | 108.9° | 109.5° |
| N | C5 | H52 | 109.1° | 109.5° |
| C5 | N | C7 | 109.7° | 109.5° |
| C5 | N | C8 | 107.9° | 109.4° |
| C5 | N | C6 | 113.1° | 109.4° |
| H51 | C5 | H52 | 110.3° | 109.4° |
| C7 | N | C8 | 110.6° | 109.5° |
| C7 | N | C6 | 107.4° | 109.5° |
| N | C7 | H71 | 109.5° | 109.5° |
| N | C7 | H72 | 109.5° | 109.4° |
| N | C7 | H73 | 109.5° | 109.5° |
| C8 | N | C6 | 108.2° | 109.4° |
| N | C8 | H81 | 109.5° | 109.5° |
| N | C8 | H82 | 109.5° | 109.4° |
| N | C8 | H83 | 109.5° | 109.4° |
| N | C6 | H61 | 109.5° | 109.5° |
| N | C6 | H62 | 109.5° | 109.4° |
| N | C6 | H63 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.4° |
| H71 | C7 | H73 | 109.4° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.4° | 109.5° |
| H82 | C8 | H83 | 109.4° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.4° | 109.5° |
| O3 | C3 | H31 | 108.4° | 109.5° |
| O3 | C3 | H32 | 108.8° | 109.5° |
| C3 | O3 | C11 | 116.3° | 120.0° |
| H31 | C3 | H32 | 111.0° | 109.5° |
| O3 | C11 | O11 | 121.4° | 120.0° |
| O3 | C11 | C12 | 118.7° | 120.0° |
| O11 | C11 | C12 | 119.9° | 120.0° |
| C11 | C12 | C13 | 110.8° | 109.4° |
| C11 | C12 | H121 | 108.7° | 109.4° |
| C11 | C12 | H122 | 109.0° | 109.5° |
| C13 | C12 | H121 | 108.8° | 109.5° |
| C13 | C12 | H122 | 109.0° | 109.5° |
| C12 | C13 | C14 | 111.6° | 109.4° |
| C12 | C13 | H131 | 108.3° | 109.5° |
| C12 | C13 | H132 | 108.8° | 109.5° |
| H121 | C12 | H122 | 110.5° | 109.5° |
| C14 | C13 | H131 | 108.3° | 109.4° |
| C14 | C13 | H132 | 108.8° | 109.5° |
| C13 | C14 | C15 | 111.9° | 109.5° |
| C13 | C14 | H141 | 108.1° | 109.4° |
| C13 | C14 | H142 | 108.7° | 109.5° |
| H131 | C13 | H132 | 111.1° | 109.5° |
| C15 | C14 | H141 | 108.1° | 109.4° |
| C15 | C14 | H142 | 108.7° | 109.5° |
| C14 | C15 | C16 | 110.8° | 109.4° |
| C14 | C15 | H151 | 108.7° | 109.4° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| H141 | C14 | H142 | 111.4° | 109.5° |
| C16 | C15 | H151 | 108.8° | 109.5° |
| C16 | C15 | H152 | 109.0° | 109.5° |
| C15 | C16 | C17 | 110.1° | 109.5° |
| C15 | C16 | H161 | 109.1° | 109.5° |
| C15 | C16 | H162 | 109.2° | 109.5° |
| H151 | C15 | H152 | 110.5° | 109.5° |
| C17 | C16 | H161 | 109.1° | 109.5° |
| C17 | C16 | H162 | 109.3° | 109.4° |
| C16 | C17 | C18 | 109.4° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| H161 | C16 | H162 | 110.0° | 109.5° |
| C18 | C17 | H171 | 109.5° | 109.5° |
| C18 | C17 | H172 | 109.5° | 109.4° |
| C17 | C18 | C19 | 113.5° | 109.5° |
| C17 | C18 | H181 | 107.2° | 109.5° |
| C17 | C18 | H182 | 108.2° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.4° |
| C19 | C18 | H181 | 107.3° | 109.5° |
| C19 | C18 | H182 | 108.2° | 109.4° |
| C18 | C19 | C20 | 111.5° | 109.5° |
| C18 | C19 | H191 | 108.4° | 109.5° |
| C18 | C19 | H192 | 108.8° | 109.4° |
| H181 | C18 | H182 | 112.6° | 109.4° |
| C20 | C19 | H191 | 108.4° | 109.4° |
| C20 | C19 | H192 | 108.8° | 109.5° |
| C19 | C20 | C21 | 112.7° | 109.5° |
| C19 | C20 | H201 | 107.7° | 109.4° |
| C19 | C20 | H202 | 108.4° | 109.5° |
| H191 | C19 | H192 | 111.0° | 109.4° |
| C21 | C20 | H201 | 107.6° | 109.4° |
| C21 | C20 | H202 | 108.4° | 109.5° |
| C20 | C21 | C22 | 111.8° | 109.4° |
| C20 | C21 | H211 | 108.2° | 109.4° |
| C20 | C21 | H212 | 108.7° | 109.5° |
| H201 | C20 | H202 | 112.1° | 109.5° |
| C22 | C21 | H211 | 108.2° | 109.5° |
| C22 | C21 | H212 | 108.7° | 109.5° |
| C21 | C22 | C23 | 112.8° | 109.4° |
| C21 | C22 | H221 | 107.6° | 109.5° |
| C21 | C22 | H222 | 108.4° | 109.5° |
| H211 | C21 | H212 | 111.3° | 109.5° |
| C23 | C22 | H221 | 107.6° | 109.5° |
| C23 | C22 | H222 | 108.4° | 109.5° |
| C22 | C23 | C24 | 110.8° | 109.5° |
| C22 | C23 | H231 | 108.8° | 109.5° |
| C22 | C23 | H232 | 109.0° | 109.5° |
| H221 | C22 | H222 | 112.1° | 109.5° |
| C24 | C23 | H231 | 108.7° | 109.4° |
| C24 | C23 | H232 | 109.0° | 109.4° |
| C23 | C24 | C25 | 112.6° | 109.5° |
| C23 | C24 | H241 | 107.7° | 109.5° |
| C23 | C24 | H242 | 108.4° | 109.4° |
| H231 | C23 | H232 | 110.5° | 109.5° |
| C25 | C24 | H241 | 107.7° | 109.5° |
| C25 | C24 | H242 | 108.5° | 109.4° |
| C24 | C25 | C26 | 106.2° | 109.5° |
| C24 | C25 | H251 | 111.3° | 109.5° |
| C24 | C25 | H252 | 110.6° | 109.4° |
| H241 | C24 | H242 | 111.9° | 109.5° |
| C26 | C25 | H251 | 111.3° | 109.5° |
| C26 | C25 | H252 | 110.6° | 109.5° |
| C25 | C26 | H261 | 109.4° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| H251 | C25 | H252 | 107.0° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H261 | C26 | H263 | 109.4° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C47 | C48 | H481 | H482 | 120.0° | 120.1° |
| C47 | C48 | H481 | H483 | 120.0° | 120.0° |
| C47 | C48 | H482 | H483 | 120.0° | 120.0° |
| C48 | C47 | C46 | H471 | 120.0° | 120.0° |
| C48 | C47 | C46 | H472 | 120.0° | 120.0° |
| C48 | C47 | H471 | H472 | 120.0° | 120.0° |
| C48 | C47 | C46 | C45 | 177.8° | 180.0° |
| C48 | C47 | C46 | H461 | 64.2° | 60.0° |
| C48 | C47 | C46 | H462 | 57.8° | 60.0° |
| H481 | C48 | H482 | H483 | 120.0° | 119.9° |
| H481 | C48 | C47 | C46 | 8.2° | 180.0° |
| H481 | C48 | C47 | H471 | 111.7° | 60.0° |
| H481 | C48 | C47 | H472 | 128.2° | 60.0° |
| H482 | C48 | C47 | C46 | 111.8° | 60.0° |
| H482 | C48 | C47 | H471 | 128.2° | 60.0° |
| H482 | C48 | C47 | H472 | 8.2° | 180.0° |
| H483 | C48 | C47 | C46 | 128.2° | 60.0° |
| H483 | C48 | C47 | H471 | 8.2° | 180.0° |
| H483 | C48 | C47 | H472 | 111.8° | 60.0° |
| C46 | C47 | H471 | H472 | 120.0° | 120.0° |
| C47 | C46 | C45 | H461 | 118.1° | 120.0° |
| C47 | C46 | C45 | H462 | 120.0° | 120.0° |
| C47 | C46 | H461 | H462 | 118.8° | 120.0° |
| C47 | C46 | C45 | C44 | 129.6° | 180.0° |
| C47 | C46 | C45 | H451 | 111.9° | 60.0° |
| C47 | C46 | C45 | H452 | 9.6° | 60.0° |
| H471 | C47 | C46 | C45 | 57.8° | 60.0° |
| H471 | C47 | C46 | H461 | 175.9° | 180.0° |
| H471 | C47 | C46 | H462 | 62.2° | 60.0° |
| H472 | C47 | C46 | C45 | 62.2° | 60.0° |
| H472 | C47 | C46 | H461 | 55.9° | 60.0° |
| H472 | C47 | C46 | H462 | 177.8° | 179.9° |
| C45 | C46 | H461 | H462 | 118.8° | 120.0° |
| C46 | C45 | C44 | H451 | 118.5° | 120.0° |
| C46 | C45 | C44 | H452 | 120.0° | 120.1° |
| C46 | C45 | H451 | H452 | 119.0° | 120.0° |
| C46 | C45 | C44 | C43 | 175.2° | 180.0° |
| C46 | C45 | C44 | H441 | 67.1° | 60.0° |
| C46 | C45 | C44 | H442 | 55.2° | 59.9° |
| H461 | C46 | C45 | C44 | 11.5° | 60.1° |
| H461 | C46 | C45 | H451 | 130.0° | 179.9° |
| H461 | C46 | C45 | H452 | 108.5° | 60.0° |
| H462 | C46 | C45 | C44 | 110.4° | 60.0° |
| H462 | C46 | C45 | H451 | 8.1° | 60.0° |
| H462 | C46 | C45 | H452 | 129.6° | 180.0° |
| C44 | C45 | H451 | H452 | 119.0° | 120.0° |
| C45 | C44 | C43 | H441 | 117.7° | 119.9° |
| C45 | C44 | C43 | H442 | 120.0° | 120.1° |
| C45 | C44 | H441 | H442 | 118.6° | 120.0° |
| C45 | C44 | C43 | C42 | 133.2° | 179.9° |
| C45 | C44 | C43 | H431 | 108.7° | 60.0° |
| C45 | C44 | C43 | H432 | 13.2° | 60.0° |
| H451 | C45 | C44 | C43 | 56.7° | 60.0° |
| H451 | C45 | C44 | H441 | 174.4° | 180.0° |
| H451 | C45 | C44 | H442 | 63.3° | 60.1° |
| H452 | C45 | C44 | C43 | 64.8° | 59.9° |
| H452 | C45 | C44 | H441 | 52.9° | 60.0° |
| H452 | C45 | C44 | H442 | 175.2° | 180.0° |
| C43 | C44 | H441 | H442 | 118.6° | 120.0° |
| C44 | C43 | C42 | H431 | 118.1° | 120.0° |
| C44 | C43 | C42 | H432 | 120.0° | 120.0° |
| C44 | C43 | H431 | H432 | 118.8° | 120.0° |
| C44 | C43 | C42 | C41 | 142.5° | 180.0° |
| C44 | C43 | C42 | H421 | 97.1° | 60.0° |
| C44 | C43 | C42 | H422 | 22.5° | 60.0° |
| H441 | C44 | C43 | C42 | 15.5° | 60.0° |
| H441 | C44 | C43 | H431 | 133.6° | 179.9° |
| H441 | C44 | C43 | H432 | 104.5° | 59.9° |
| H442 | C44 | C43 | C42 | 106.8° | 60.0° |
| H442 | C44 | C43 | H431 | 11.3° | 60.0° |
| H442 | C44 | C43 | H432 | 133.2° | 179.9° |
| C42 | C43 | H431 | H432 | 118.8° | 120.0° |
| C43 | C42 | C41 | H421 | 120.3° | 120.0° |
| C43 | C42 | C41 | H422 | 120.0° | 120.0° |
| C43 | C42 | H421 | H422 | 120.2° | 120.0° |
| C43 | C42 | C41 | C40 | 166.6° | 180.0° |
| C43 | C42 | C41 | H411 | 75.2° | 59.9° |
| C43 | C42 | C41 | H412 | 46.6° | 60.0° |
| H431 | C43 | C42 | C41 | 24.4° | 60.0° |
| H431 | C43 | C42 | H421 | 144.8° | 180.0° |
| H431 | C43 | C42 | H422 | 95.6° | 60.0° |
| H432 | C43 | C42 | C41 | 97.5° | 60.1° |
| H432 | C43 | C42 | H421 | 22.9° | 60.0° |
| H432 | C43 | C42 | H422 | 142.5° | 179.9° |
| C41 | C42 | H421 | H422 | 120.3° | 120.0° |
| C42 | C41 | C40 | H411 | 118.2° | 120.0° |
| C42 | C41 | C40 | H412 | 120.0° | 120.0° |
| C42 | C41 | H411 | H412 | 118.9° | 120.0° |
| C42 | C41 | C40 | C39 | 156.3° | 180.0° |
| C42 | C41 | C40 | H401 | 83.9° | 60.0° |
| C42 | C41 | C40 | H402 | 36.3° | 60.1° |
| H421 | C42 | C41 | C40 | 46.2° | 60.0° |
| H421 | C42 | C41 | H411 | 164.5° | 180.0° |
| H421 | C42 | C41 | H412 | 73.7° | 60.0° |
| H422 | C42 | C41 | C40 | 73.4° | 60.0° |
| H422 | C42 | C41 | H411 | 44.8° | 60.0° |
| H422 | C42 | C41 | H412 | 166.6° | NaN° |
| C40 | C41 | H411 | H412 | 118.9° | 120.0° |
| C41 | C40 | C39 | H401 | 119.9° | 120.0° |
| C41 | C40 | C39 | H402 | 120.0° | 119.9° |
| C41 | C40 | H401 | H402 | 119.9° | 120.0° |
| C41 | C40 | C39 | C38 | 169.2° | 180.0° |
| C41 | C40 | C39 | H391 | 72.7° | 59.9° |
| C41 | C40 | C39 | H392 | 49.2° | 60.0° |
| H411 | C41 | C40 | C39 | 38.0° | 60.0° |
| H411 | C41 | C40 | H401 | 157.9° | 180.0° |
| H411 | C41 | C40 | H402 | 82.0° | 60.0° |
| H412 | C41 | C40 | C39 | 83.7° | 60.0° |
| H412 | C41 | C40 | H401 | 36.1° | 60.0° |
| H412 | C41 | C40 | H402 | 156.3° | 179.9° |
| C39 | C40 | H401 | H402 | 119.9° | 120.0° |
| C40 | C39 | C38 | H391 | 118.2° | 120.1° |
| C40 | C39 | C38 | H392 | 120.0° | 120.0° |
| C40 | C39 | H391 | H392 | 118.8° | 120.0° |
| C40 | C39 | C38 | C37 | 67.1° | 180.0° |
| C40 | C39 | C38 | H381 | 175.0° | 59.9° |
| C40 | C39 | C38 | H382 | 52.9° | 60.0° |
| H401 | C40 | C39 | C38 | 49.3° | 60.0° |
| H401 | C40 | C39 | H391 | 167.5° | 179.9° |
| H401 | C40 | C39 | H392 | 70.7° | 60.0° |
| H402 | C40 | C39 | C38 | 70.8° | 60.1° |
| H402 | C40 | C39 | H391 | 47.4° | 60.0° |
| H402 | C40 | C39 | H392 | 169.2° | 180.0° |
| C38 | C39 | H391 | H392 | 118.8° | 119.9° |
| C39 | C38 | C37 | H381 | 117.9° | 120.0° |
| C39 | C38 | C37 | H382 | 120.0° | 120.0° |
| C39 | C38 | H381 | H382 | 118.7° | 119.9° |
| C39 | C38 | C37 | C36 | 173.0° | 180.0° |
| C39 | C38 | C37 | H371 | 52.5° | 60.0° |
| C39 | C38 | C37 | H372 | 67.0° | 60.0° |
| H391 | C39 | C38 | C37 | 51.1° | 60.0° |
| H391 | C39 | C38 | H381 | 66.9° | 180.0° |
| H391 | C39 | C38 | H382 | 171.0° | 60.1° |
| H392 | C39 | C38 | C37 | 172.9° | 60.0° |
| H392 | C39 | C38 | H381 | 55.0° | 60.1° |
| H392 | C39 | C38 | H382 | 67.1° | 180.0° |
| C37 | C38 | H381 | H382 | 118.7° | 120.0° |
| C38 | C37 | C36 | H371 | 120.5° | 120.0° |
| C38 | C37 | C36 | H372 | 120.0° | 120.0° |
| C38 | C37 | H371 | H372 | 120.3° | 120.0° |
| C38 | C37 | C36 | C35 | 162.2° | 180.0° |
| C38 | C37 | C36 | H361 | 80.2° | 60.0° |
| C38 | C37 | C36 | H362 | 42.2° | 60.0° |
| H381 | C38 | C37 | C36 | 69.1° | 60.0° |
| H381 | C38 | C37 | H371 | 170.4° | 180.0° |
| H381 | C38 | C37 | H372 | 50.9° | 60.0° |
| H382 | C38 | C37 | C36 | 53.0° | 60.0° |
| H382 | C38 | C37 | H371 | 67.5° | 60.0° |
| H382 | C38 | C37 | H372 | 173.0° | 180.0° |
| C36 | C37 | H371 | H372 | 120.3° | 120.0° |
| C37 | C36 | C35 | H361 | 117.7° | 120.0° |
| C37 | C36 | C35 | H362 | 120.0° | 120.0° |
| C37 | C36 | H361 | H362 | 118.5° | 120.0° |
| C37 | C36 | C35 | C34 | 175.2° | 180.0° |
| C37 | C36 | C35 | H351 | 55.3° | 60.0° |
| C37 | C36 | C35 | H352 | 64.8° | 60.0° |
| H371 | C37 | C36 | C35 | 41.7° | 60.0° |
| H371 | C37 | C36 | H361 | 159.4° | 180.0° |
| H371 | C37 | C36 | H362 | 78.3° | 60.0° |
| H372 | C37 | C36 | C35 | 77.8° | 60.0° |
| H372 | C37 | C36 | H361 | 39.8° | 60.0° |
| H372 | C37 | C36 | H362 | 162.2° | 180.0° |
| C35 | C36 | H361 | H362 | 118.5° | 120.0° |
| C36 | C35 | C34 | H351 | 119.9° | 120.0° |
| C36 | C35 | C34 | H352 | 120.0° | 120.0° |
| C36 | C35 | H351 | H352 | 120.0° | 120.0° |
| C36 | C35 | C34 | C33 | 92.1° | 180.0° |
| C36 | C35 | C34 | H341 | 148.4° | 60.0° |
| C36 | C35 | C34 | H342 | 28.0° | 60.0° |
| H361 | C36 | C35 | C34 | 67.1° | 60.0° |
| H361 | C36 | C35 | H351 | 173.0° | 180.0° |
| H361 | C36 | C35 | H352 | 52.9° | 60.0° |
| H362 | C36 | C35 | C34 | 55.2° | 60.0° |
| H362 | C36 | C35 | H351 | 64.7° | 60.0° |
| H362 | C36 | C35 | H352 | 175.2° | 180.0° |
| C34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C35 | C34 | C33 | H341 | 119.6° | 120.0° |
| C35 | C34 | C33 | H342 | 120.0° | 120.0° |
| C35 | C34 | H341 | H342 | 119.7° | 120.0° |
| C35 | C34 | C33 | C32 | 136.0° | 180.0° |
| C35 | C34 | C33 | H331 | 16.9° | 60.0° |
| C35 | C34 | C33 | H332 | 104.0° | 60.0° |
| H351 | C35 | C34 | C33 | 27.9° | 60.0° |
| H351 | C35 | C34 | H341 | 91.7° | 180.0° |
| H351 | C35 | C34 | H342 | 147.9° | 60.0° |
| H352 | C35 | C34 | C33 | 147.9° | 60.0° |
| H352 | C35 | C34 | H341 | 28.3° | 60.0° |
| H352 | C35 | C34 | H342 | 92.1° | 179.9° |
| C33 | C34 | H341 | H342 | 119.7° | 120.0° |
| C34 | C33 | C32 | H331 | 119.1° | 120.0° |
| C34 | C33 | C32 | H332 | 120.0° | 120.0° |
| C34 | C33 | H331 | H332 | 119.4° | 120.0° |
| C34 | C33 | C32 | C31 | 162.9° | 180.0° |
| C34 | C33 | C32 | H321 | 45.2° | 60.0° |
| C34 | C33 | C32 | H322 | 77.1° | 60.0° |
| H341 | C34 | C33 | C32 | 104.4° | 60.0° |
| H341 | C34 | C33 | H331 | 136.5° | 180.0° |
| H341 | C34 | C33 | H332 | 15.6° | 59.9° |
| H342 | C34 | C33 | C32 | 16.0° | 60.0° |
| H342 | C34 | C33 | H331 | 103.1° | 60.0° |
| H342 | C34 | C33 | H332 | 136.0° | NaN° |
| C32 | C33 | H331 | H332 | 119.4° | 120.0° |
| C33 | C32 | C31 | H321 | 117.7° | 120.0° |
| C33 | C32 | C31 | H322 | 120.0° | 120.0° |
| C33 | C32 | H321 | H322 | 118.6° | 120.0° |
| C33 | C32 | C31 | O31 | 17.2° | 0.0° |
| C33 | C32 | C31 | O2 | 162.9° | 180.0° |
| H331 | C33 | C32 | C31 | 78.1° | 60.0° |
| H331 | C33 | C32 | H321 | 164.3° | 180.0° |
| H331 | C33 | C32 | H322 | 42.0° | 60.0° |
| H332 | C33 | C32 | C31 | 42.9° | 60.0° |
| H332 | C33 | C32 | H321 | 74.8° | 60.0° |
| H332 | C33 | C32 | H322 | 162.9° | 179.9° |
| C31 | C32 | H321 | H322 | 118.5° | 120.0° |
| C32 | C31 | O31 | O2 | 179.9° | 180.0° |
| C32 | C31 | O2 | C2 | 68.0° | 180.0° |
| H321 | C32 | C31 | O31 | 100.5° | 120.0° |
| H321 | C32 | C31 | O2 | 79.4° | 60.0° |
| H322 | C32 | C31 | O31 | 137.2° | 120.0° |
| H322 | C32 | C31 | O2 | 42.9° | 60.0° |
| O31 | C31 | O2 | C2 | 112.1° | 0.0° |
| C31 | O2 | C2 | C1 | 35.0° | 90.0° |
| C31 | O2 | C2 | C3 | 163.0° | 150.0° |
| C31 | O2 | C2 | H2 | 81.1° | 30.0° |
| O2 | C2 | C1 | C3 | 127.3° | 120.0° |
| O2 | C2 | C1 | H2 | 116.9° | 120.0° |
| O2 | C2 | C3 | H2 | 116.9° | 120.0° |
| O2 | C2 | C1 | O3P | 82.8° | 65.0° |
| O2 | C2 | C1 | H11 | 159.8° | 55.0° |
| O2 | C2 | C1 | H12 | 37.3° | 175.1° |
| O2 | C2 | C3 | O3 | 105.9° | 65.1° |
| O2 | C2 | C3 | H31 | 134.9° | 175.0° |
| O2 | C2 | C3 | H32 | 14.1° | 55.0° |
| C1 | C2 | C3 | H2 | 115.9° | 120.0° |
| C2 | C1 | O3P | H11 | 117.4° | 120.0° |
| C2 | C1 | O3P | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 118.4° | 120.1° |
| C2 | C1 | O3P | P | 106.5° | 180.0° |
| C1 | C2 | C3 | O3 | 126.9° | 55.0° |
| C1 | C2 | C3 | H31 | 7.7° | 65.0° |
| C1 | C2 | C3 | H32 | 113.1° | 175.0° |
| C3 | C2 | C1 | O3P | 44.6° | 55.0° |
| C3 | C2 | C1 | H11 | 72.9° | 175.0° |
| C3 | C2 | C1 | H12 | 164.6° | 65.0° |
| C2 | C3 | O3 | H31 | 119.1° | 119.9° |
| C2 | C3 | O3 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 119.5° | 120.0° |
| C2 | C3 | O3 | C11 | 177.3° | 180.0° |
| H2 | C2 | C1 | O3P | 160.3° | 175.0° |
| H2 | C2 | C1 | H11 | 42.9° | 65.0° |
| H2 | C2 | C1 | H12 | 79.7° | 55.0° |
| H2 | C2 | C3 | O3 | 11.0° | 175.0° |
| H2 | C2 | C3 | H31 | 108.2° | 55.1° |
| H2 | C2 | C3 | H32 | 131.0° | 65.0° |
| O3P | C1 | H11 | H12 | 118.4° | 120.0° |
| C1 | O3P | P | O1P | 111.0° | 65.1° |
| C1 | O3P | P | O2P | 118.0° | 55.0° |
| C1 | O3P | P | O4P | 4.9° | 175.0° |
| H11 | C1 | O3P | P | 11.0° | 60.0° |
| H12 | C1 | O3P | P | 133.5° | 60.0° |
| O3P | P | O1P | O2P | 125.6° | 120.0° |
| O3P | P | O1P | O4P | 110.7° | 120.0° |
| O3P | P | O2P | O4P | 110.7° | 120.0° |
| O3P | P | O1P | HO1P | 26.4° | 59.9° |
| O3P | P | O4P | C4 | 84.8° | 175.0° |
| O1P | P | O2P | O4P | 125.5° | 120.0° |
| O1P | P | O4P | C4 | 161.9° | 65.0° |
| O2P | P | O1P | HO1P | 152.1° | 179.9° |
| O2P | P | O4P | C4 | 31.1° | 55.0° |
| O4P | P | O1P | HO1P | 84.3° | 60.1° |
| P | O4P | C4 | C5 | 154.7° | 180.0° |
| P | O4P | C4 | H41 | 85.6° | 60.0° |
| P | O4P | C4 | H42 | 34.7° | 60.0° |
| O4P | C4 | C5 | H41 | 119.6° | 120.0° |
| O4P | C4 | C5 | H42 | 120.0° | 120.0° |
| O4P | C4 | H41 | H42 | 119.8° | 120.0° |
| O4P | C4 | C5 | N | 142.3° | 66.5° |
| O4P | C4 | C5 | H51 | 98.2° | 173.5° |
| O4P | C4 | C5 | H52 | 22.2° | 53.5° |
| C5 | C4 | H41 | H42 | 119.7° | 119.9° |
| C4 | C5 | N | H51 | 119.6° | 120.0° |
| C4 | C5 | N | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 119.7° | 120.0° |
| C4 | C5 | N | C7 | 67.5° | 54.4° |
| C4 | C5 | N | C8 | 53.0° | 174.5° |
| C4 | C5 | N | C6 | 172.6° | 65.6° |
| H41 | C4 | C5 | N | 22.6° | 53.5° |
| H41 | C4 | C5 | H51 | 142.2° | 66.5° |
| H41 | C4 | C5 | H52 | 97.4° | 173.5° |
| H42 | C4 | C5 | N | 97.7° | 173.4° |
| H42 | C4 | C5 | H51 | 21.8° | 53.4° |
| H42 | C4 | C5 | H52 | 142.2° | 66.5° |
| N | C5 | H51 | H52 | 119.7° | 120.0° |
| C5 | N | C7 | C8 | 118.9° | 120.0° |
| C5 | N | C7 | C6 | 123.3° | 120.0° |
| C5 | N | C8 | C6 | 122.7° | 119.9° |
| C5 | N | C7 | H71 | 158.1° | 60.0° |
| C5 | N | C7 | H72 | 81.8° | 180.0° |
| C5 | N | C7 | H73 | 38.2° | 60.0° |
| C5 | N | C8 | H81 | 90.6° | 60.0° |
| C5 | N | C8 | H82 | 29.4° | 180.0° |
| C5 | N | C8 | H83 | 149.4° | 60.0° |
| C5 | N | C6 | H61 | 90.4° | 71.1° |
| C5 | N | C6 | H62 | 29.6° | 169.0° |
| C5 | N | C6 | H63 | 149.6° | 49.0° |
| H51 | C5 | N | C7 | 52.1° | 65.6° |
| H51 | C5 | N | C8 | 172.6° | 54.5° |
| H51 | C5 | N | C6 | 67.8° | 174.4° |
| H52 | C5 | N | C7 | 172.5° | 174.4° |
| H52 | C5 | N | C8 | 67.0° | 65.5° |
| H52 | C5 | N | C6 | 52.6° | 54.4° |
| C7 | N | C8 | C6 | 117.3° | 120.1° |
| N | C7 | H71 | H72 | 120.0° | 119.9° |
| N | C7 | H71 | H73 | 120.0° | 120.0° |
| N | C7 | H72 | H73 | 120.0° | 120.0° |
| C7 | N | C8 | H81 | 149.5° | 180.0° |
| C7 | N | C8 | H82 | 90.5° | 60.0° |
| C7 | N | C8 | H83 | 29.5° | 60.0° |
| C7 | N | C6 | H61 | 30.7° | 48.9° |
| C7 | N | C6 | H62 | 150.7° | 70.9° |
| C7 | N | C6 | H63 | 89.3° | 169.0° |
| C8 | N | C7 | H71 | 83.0° | 60.0° |
| C8 | N | C7 | H72 | 37.1° | 60.0° |
| C8 | N | C7 | H73 | 157.1° | 180.0° |
| N | C8 | H81 | H82 | 120.0° | 120.0° |
| N | C8 | H81 | H83 | 120.0° | 119.9° |
| N | C8 | H82 | H83 | 120.0° | 119.9° |
| C8 | N | C6 | H61 | 150.1° | 169.0° |
| C8 | N | C6 | H62 | 89.9° | 49.1° |
| C8 | N | C6 | H63 | 30.1° | 71.0° |
| C6 | N | C7 | H71 | 34.9° | 180.0° |
| C6 | N | C7 | H72 | 154.9° | 60.0° |
| C6 | N | C7 | H73 | 85.1° | 60.0° |
| C6 | N | C8 | H81 | 32.1° | 59.9° |
| C6 | N | C8 | H82 | 152.2° | 60.1° |
| C6 | N | C8 | H83 | 87.8° | 180.0° |
| N | C6 | H61 | H62 | 120.0° | 119.9° |
| N | C6 | H61 | H63 | 120.0° | 120.1° |
| N | C6 | H62 | H63 | 120.0° | 120.1° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| H81 | C8 | H82 | H83 | 120.0° | 120.1° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| O3 | C3 | H31 | H32 | 119.5° | 120.1° |
| C3 | O3 | C11 | O11 | 49.2° | 0.1° |
| C3 | O3 | C11 | C12 | 132.0° | 180.0° |
| H31 | C3 | O3 | C11 | 58.1° | 60.1° |
| H32 | C3 | O3 | C11 | 62.7° | 60.0° |
| O3 | C11 | O11 | C12 | 178.8° | 179.9° |
| O3 | C11 | C12 | C13 | 56.3° | 179.9° |
| O3 | C11 | C12 | H121 | 175.7° | 60.1° |
| O3 | C11 | C12 | H122 | 63.7° | 60.0° |
| O11 | C11 | C12 | C13 | 124.9° | 0.0° |
| O11 | C11 | C12 | H121 | 5.4° | 120.0° |
| O11 | C11 | C12 | H122 | 115.1° | 119.9° |
| C11 | C12 | C13 | H121 | 119.5° | 119.9° |
| C11 | C12 | C13 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 119.6° | 120.0° |
| C11 | C12 | C13 | C14 | 91.7° | 180.0° |
| C11 | C12 | C13 | H131 | 27.4° | 60.1° |
| C11 | C12 | C13 | H132 | 148.3° | 60.0° |
| C13 | C12 | H121 | H122 | 119.6° | 120.0° |
| C12 | C13 | C14 | H131 | 119.1° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 119.4° | 120.0° |
| C12 | C13 | C14 | C15 | 88.8° | 180.0° |
| C12 | C13 | C14 | H141 | 30.2° | 60.0° |
| C12 | C13 | C14 | H142 | 151.2° | 60.0° |
| H121 | C12 | C13 | C14 | 148.9° | 60.1° |
| H121 | C12 | C13 | H131 | 92.0° | 180.0° |
| H121 | C12 | C13 | H132 | 28.9° | 59.9° |
| H122 | C12 | C13 | C14 | 28.3° | 60.0° |
| H122 | C12 | C13 | H131 | 147.4° | 59.9° |
| H122 | C12 | C13 | H132 | 91.7° | 180.0° |
| C14 | C13 | H131 | H132 | 119.4° | 120.0° |
| C13 | C14 | C15 | H141 | 118.9° | 119.9° |
| C13 | C14 | C15 | H142 | 120.0° | 120.1° |
| C13 | C14 | H141 | H142 | 119.3° | 120.0° |
| C13 | C14 | C15 | C16 | 162.0° | 180.0° |
| C13 | C14 | C15 | H151 | 78.5° | 60.1° |
| C13 | C14 | C15 | H152 | 42.0° | 60.0° |
| H131 | C13 | C14 | C15 | 152.1° | 60.0° |
| H131 | C13 | C14 | H141 | 89.0° | 180.0° |
| H131 | C13 | C14 | H142 | 32.1° | 60.0° |
| H132 | C13 | C14 | C15 | 31.2° | 60.0° |
| H132 | C13 | C14 | H141 | 150.2° | 59.9° |
| H132 | C13 | C14 | H142 | 88.8° | 179.9° |
| C15 | C14 | H141 | H142 | 119.4° | 120.1° |
| C14 | C15 | C16 | H151 | 119.5° | 119.9° |
| C14 | C15 | C16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 119.6° | 120.0° |
| C14 | C15 | C16 | C17 | 138.7° | 180.0° |
| C14 | C15 | C16 | H161 | 101.6° | 60.1° |
| C14 | C15 | C16 | H162 | 18.7° | 60.0° |
| H141 | C14 | C15 | C16 | 43.1° | 60.1° |
| H141 | C14 | C15 | H151 | 162.6° | 180.0° |
| H141 | C14 | C15 | H152 | 76.9° | 59.9° |
| H142 | C14 | C15 | C16 | 78.0° | 60.0° |
| H142 | C14 | C15 | H151 | 41.5° | 60.0° |
| H142 | C14 | C15 | H152 | 162.0° | 180.0° |
| C16 | C15 | H151 | H152 | 119.6° | 120.1° |
| C15 | C16 | C17 | H161 | 119.7° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 119.8° | 120.0° |
| C15 | C16 | C17 | C18 | 87.1° | 180.0° |
| C15 | C16 | C17 | H171 | 152.9° | 60.0° |
| C15 | C16 | C17 | H172 | 32.9° | 60.0° |
| H151 | C15 | C16 | C17 | 19.3° | 60.1° |
| H151 | C15 | C16 | H161 | 139.0° | 180.0° |
| H151 | C15 | C16 | H162 | 100.7° | 59.9° |
| H152 | C15 | C16 | C17 | 101.3° | 60.0° |
| H152 | C15 | C16 | H161 | 18.4° | 59.9° |
| H152 | C15 | C16 | H162 | 138.7° | 180.0° |
| C17 | C16 | H161 | H162 | 119.8° | 120.0° |
| C16 | C17 | C18 | H171 | 120.0° | 120.1° |
| C16 | C17 | C18 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 161.6° | 180.0° |
| C16 | C17 | C18 | H181 | 43.4° | 59.9° |
| C16 | C17 | C18 | H182 | 78.3° | 60.0° |
| H161 | C16 | C17 | C18 | 32.6° | 60.0° |
| H161 | C16 | C17 | H171 | 87.4° | 180.0° |
| H161 | C16 | C17 | H172 | 152.7° | 60.0° |
| H162 | C16 | C17 | C18 | 152.9° | 60.0° |
| H162 | C16 | C17 | H171 | 32.9° | 60.0° |
| H162 | C16 | C17 | H172 | 87.1° | 180.0° |
| C18 | C17 | H171 | H172 | 120.0° | 119.9° |
| C17 | C18 | C19 | H181 | 118.2° | 120.0° |
| C17 | C18 | C19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 118.9° | 120.0° |
| C17 | C18 | C19 | C20 | 140.1° | 180.0° |
| C17 | C18 | C19 | H191 | 20.9° | 60.0° |
| C17 | C18 | C19 | H192 | 99.9° | 60.0° |
| H171 | C17 | C18 | C19 | 78.3° | 59.9° |
| H171 | C17 | C18 | H181 | 163.4° | 180.0° |
| H171 | C17 | C18 | H182 | 41.7° | 60.1° |
| H172 | C17 | C18 | C19 | 41.6° | 60.0° |
| H172 | C17 | C18 | H181 | 76.6° | 60.1° |
| H172 | C17 | C18 | H182 | 161.6° | 180.0° |
| C19 | C18 | H181 | H182 | 118.9° | 120.0° |
| C18 | C19 | C20 | H191 | 119.2° | 120.0° |
| C18 | C19 | C20 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H192 | 119.4° | 120.0° |
| C18 | C19 | C20 | C21 | 56.7° | 180.0° |
| C18 | C19 | C20 | H201 | 61.9° | 60.0° |
| C18 | C19 | C20 | H202 | 176.7° | 60.0° |
| H181 | C18 | C19 | C20 | 101.7° | 60.0° |
| H181 | C18 | C19 | H191 | 139.2° | 180.0° |
| H181 | C18 | C19 | H192 | 18.3° | 60.0° |
| H182 | C18 | C19 | C20 | 20.1° | 60.0° |
| H182 | C18 | C19 | H191 | 99.1° | 60.0° |
| H182 | C18 | C19 | H192 | 140.1° | 180.0° |
| C20 | C19 | H191 | H192 | 119.5° | 120.0° |
| C19 | C20 | C21 | H201 | 118.6° | 119.9° |
| C19 | C20 | C21 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H202 | 119.1° | 120.0° |
| C19 | C20 | C21 | C22 | 160.2° | 180.0° |
| C19 | C20 | C21 | H211 | 80.8° | 60.1° |
| C19 | C20 | C21 | H212 | 40.2° | 60.0° |
| H191 | C19 | C20 | C21 | 175.8° | 60.0° |
| H191 | C19 | C20 | H201 | 57.3° | 179.9° |
| H191 | C19 | C20 | H202 | 64.2° | 60.1° |
| H192 | C19 | C20 | C21 | 63.3° | 60.0° |
| H192 | C19 | C20 | H201 | 178.1° | 60.0° |
| H192 | C19 | C20 | H202 | 56.7° | 180.0° |
| C21 | C20 | H201 | H202 | 119.1° | 120.1° |
| C20 | C21 | C22 | H211 | 119.0° | 119.9° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 119.3° | 120.0° |
| C20 | C21 | C22 | C23 | 71.9° | 180.0° |
| C20 | C21 | C22 | H221 | 46.6° | 60.1° |
| C20 | C21 | C22 | H222 | 168.1° | 60.0° |
| H201 | C20 | C21 | C22 | 41.6° | 60.1° |
| H201 | C20 | C21 | H211 | 160.6° | 180.0° |
| H201 | C20 | C21 | H212 | 78.4° | 59.9° |
| H202 | C20 | C21 | C22 | 79.8° | 60.0° |
| H202 | C20 | C21 | H211 | 39.2° | 60.0° |
| H202 | C20 | C21 | H212 | 160.2° | 180.0° |
| C22 | C21 | H211 | H212 | 119.4° | 120.1° |
| C21 | C22 | C23 | H221 | 118.6° | 120.0° |
| C21 | C22 | C23 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 119.1° | 120.0° |
| C21 | C22 | C23 | C24 | 164.9° | 180.0° |
| C21 | C22 | C23 | H231 | 45.5° | 60.0° |
| C21 | C22 | C23 | H232 | 75.1° | 60.0° |
| H211 | C21 | C22 | C23 | 169.1° | 60.1° |
| H211 | C21 | C22 | H221 | 72.4° | 180.0° |
| H211 | C21 | C22 | H222 | 49.1° | 59.9° |
| H212 | C21 | C22 | C23 | 48.0° | 60.0° |
| H212 | C21 | C22 | H221 | 166.6° | 59.9° |
| H212 | C21 | C22 | H222 | 71.9° | 180.0° |
| C23 | C22 | H221 | H222 | 119.1° | 120.0° |
| C22 | C23 | C24 | H231 | 119.5° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 119.7° | 120.1° |
| C22 | C23 | C24 | C25 | 133.9° | 180.0° |
| C22 | C23 | C24 | H241 | 15.2° | 59.9° |
| C22 | C23 | C24 | H242 | 106.1° | 60.0° |
| H221 | C22 | C23 | C24 | 76.5° | 60.0° |
| H221 | C22 | C23 | H231 | 164.1° | 180.0° |
| H221 | C22 | C23 | H232 | 43.5° | 60.0° |
| H222 | C22 | C23 | C24 | 44.9° | 60.0° |
| H222 | C22 | C23 | H231 | 74.5° | 59.9° |
| H222 | C22 | C23 | H232 | 164.9° | 180.0° |
| C24 | C23 | H231 | H232 | 119.6° | 119.9° |
| C23 | C24 | C25 | H241 | 118.6° | 120.0° |
| C23 | C24 | C25 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 119.1° | 120.0° |
| C23 | C24 | C25 | C26 | 153.9° | 180.0° |
| C23 | C24 | C25 | H251 | 84.9° | 59.9° |
| C23 | C24 | C25 | H252 | 33.9° | 60.0° |
| H231 | C23 | C24 | C25 | 106.7° | 60.0° |
| H231 | C23 | C24 | H241 | 134.7° | 180.0° |
| H231 | C23 | C24 | H242 | 13.4° | 60.0° |
| H232 | C23 | C24 | C25 | 13.9° | 60.0° |
| H232 | C23 | C24 | H241 | 104.7° | 60.1° |
| H232 | C23 | C24 | H242 | 133.9° | 180.0° |
| C25 | C24 | H241 | H242 | 119.2° | 120.0° |
| C24 | C25 | C26 | H251 | 121.2° | 120.0° |
| C24 | C25 | C26 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 120.8° | 119.9° |
| C24 | C25 | C26 | H261 | 106.8° | 60.0° |
| C24 | C25 | C26 | H262 | 13.2° | 180.0° |
| C24 | C25 | C26 | H263 | 133.2° | 60.0° |
| H241 | C24 | C25 | C26 | 35.2° | 60.0° |
| H241 | C24 | C25 | H251 | 156.5° | 180.0° |
| H241 | C24 | C25 | H252 | 84.8° | 60.0° |
| H242 | C24 | C25 | C26 | 86.1° | 60.0° |
| H242 | C24 | C25 | H251 | 35.2° | 60.0° |
| H242 | C24 | C25 | H252 | 153.9° | 180.0° |
| C26 | C25 | H251 | H252 | 120.9° | 120.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.1° |
| C25 | C26 | H262 | H263 | 120.0° | 120.1° |
| H251 | C25 | C26 | H261 | 131.9° | 60.0° |
| H251 | C25 | C26 | H262 | 108.1° | 60.0° |
| H251 | C25 | C26 | H263 | 12.0° | 180.0° |
| H252 | C25 | C26 | H261 | 13.2° | 180.0° |
| H252 | C25 | C26 | H262 | 133.2° | 60.0° |
| H252 | C25 | C26 | H263 | 106.8° | 60.0° |
| H261 | C26 | H262 | H263 | 120.0° | 119.9° |
