PC9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C48 | C47 | sing | 1.53Å | 1.51Å | |
| 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 | 1.52Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| 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 | 1.56Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C43 | C42 | sing | 1.53Å | 1.56Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C42 | C41 | sing | 1.53Å | 1.54Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| 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 | BR2 | sing | 1.97Å | 1.94Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | BR1 | sing | 1.97Å | 1.91Å | |
| C36 | C35 | sing | 1.53Å | 1.50Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.51Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C31 | O31 | doub | 1.21Å | 1.22Å | |
| C31 | O2 | sing | 1.34Å | 1.39Å | |
| O2 | C2 | sing | 1.45Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.59Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | O3P | sing | 1.43Å | 1.48Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O3P | P | sing | 1.61Å | 1.65Å | |
| P | O1P | doub | 1.48Å | 1.62Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| P | O4P | sing | 1.61Å | 1.65Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| O4P | C4 | sing | 1.43Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | N | sing | 1.47Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| N | C7 | sing | 1.47Å | 1.48Å | |
| N | C8 | sing | 1.47Å | 1.48Å | |
| 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 | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O3 | C11 | sing | 1.34Å | 1.34Å | |
| C11 | O11 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| 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 | 109.4° | 109.5° |
| C47 | C48 | H482 | 109.4° | 109.5° |
| C47 | C48 | H483 | 109.5° | 109.5° |
| C48 | C47 | C46 | 108.8° | 109.5° |
| C48 | C47 | H471 | 109.8° | 109.4° |
| C48 | C47 | H472 | 109.7° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.4° |
| H481 | C48 | H483 | 109.5° | 109.4° |
| H482 | C48 | H483 | 109.5° | 109.5° |
| C46 | C47 | H471 | 109.8° | 109.4° |
| C46 | C47 | H472 | 109.7° | 109.5° |
| C47 | C46 | C45 | 112.7° | 109.5° |
| C47 | C46 | H461 | 107.7° | 109.5° |
| C47 | C46 | H462 | 108.4° | 109.4° |
| H471 | C47 | H472 | 109.0° | 109.5° |
| C45 | C46 | H461 | 107.7° | 109.5° |
| C45 | C46 | H462 | 108.4° | 109.5° |
| C46 | C45 | C44 | 110.8° | 109.5° |
| C46 | C45 | H451 | 108.7° | 109.5° |
| C46 | C45 | H452 | 109.0° | 109.5° |
| H461 | C46 | H462 | 112.0° | 109.5° |
| C44 | C45 | H451 | 108.7° | 109.5° |
| C44 | C45 | H452 | 109.0° | 109.5° |
| C45 | C44 | C43 | 109.4° | 109.5° |
| C45 | C44 | H441 | 109.5° | 109.5° |
| C45 | C44 | H442 | 109.5° | 109.5° |
| H451 | C45 | H452 | 110.5° | 109.5° |
| C43 | C44 | H441 | 109.6° | 109.5° |
| C43 | C44 | H442 | 109.5° | 109.4° |
| C44 | C43 | C42 | 118.1° | 109.5° |
| C44 | C43 | H431 | 104.7° | 109.5° |
| C44 | C43 | H432 | 106.7° | 109.4° |
| H441 | C44 | H442 | 109.4° | 109.4° |
| C42 | C43 | H431 | 104.7° | 109.5° |
| C42 | C43 | H432 | 106.7° | 109.5° |
| C43 | C42 | C41 | 107.1° | 109.5° |
| C43 | C42 | H421 | 110.8° | 109.5° |
| C43 | C42 | H422 | 110.3° | 109.5° |
| H431 | C43 | H432 | 116.5° | 109.5° |
| C41 | C42 | H421 | 110.8° | 109.5° |
| C41 | C42 | H422 | 110.3° | 109.4° |
| C42 | C41 | C40 | 114.0° | 109.5° |
| C42 | C41 | H411 | 106.9° | 109.5° |
| C42 | C41 | H412 | 108.0° | 109.4° |
| H421 | C42 | H422 | 107.6° | 109.5° |
| C40 | C41 | H411 | 106.9° | 109.5° |
| C40 | C41 | H412 | 108.0° | 109.5° |
| C41 | C40 | C39 | 111.0° | 109.5° |
| C41 | C40 | H401 | 108.6° | 109.5° |
| C41 | C40 | H402 | 108.9° | 109.5° |
| H411 | C41 | H412 | 113.1° | 109.4° |
| C39 | C40 | H401 | 108.6° | 109.4° |
| C39 | C40 | H402 | 109.0° | 109.5° |
| C40 | C39 | C38 | 112.3° | 109.5° |
| C40 | C39 | H391 | 107.9° | 109.5° |
| C40 | C39 | H392 | 108.6° | 109.5° |
| H401 | C40 | H402 | 110.7° | 109.5° |
| C38 | C39 | H391 | 107.9° | 109.4° |
| C38 | C39 | H392 | 108.6° | 109.5° |
| C39 | C38 | C37 | 109.9° | 109.5° |
| C39 | C38 | H381 | 109.3° | 109.4° |
| C39 | C38 | H382 | 109.3° | 109.5° |
| H391 | C39 | H392 | 111.6° | 109.5° |
| C37 | C38 | H381 | 109.2° | 109.5° |
| C37 | C38 | H382 | 109.3° | 109.5° |
| C38 | C37 | BR2 | 104.0° | 109.5° |
| C38 | C37 | C36 | 111.9° | 109.4° |
| C38 | C37 | H37 | 113.4° | 109.4° |
| H381 | C38 | H382 | 109.8° | 109.5° |
| BR2 | C37 | C36 | 114.6° | 109.5° |
| BR2 | C37 | H37 | 110.7° | 109.5° |
| C36 | C37 | H37 | 102.5° | 109.5° |
| C37 | C36 | BR1 | 105.9° | 109.5° |
| C37 | C36 | C35 | 116.3° | 109.4° |
| C37 | C36 | H36 | 106.3° | 109.5° |
| BR1 | C36 | C35 | 106.2° | 109.5° |
| BR1 | C36 | H36 | 116.4° | 109.5° |
| C35 | C36 | H36 | 106.1° | 109.4° |
| C36 | C35 | C34 | 112.7° | 109.5° |
| C36 | C35 | H351 | 107.7° | 109.5° |
| C36 | C35 | H352 | 108.4° | 109.5° |
| C34 | C35 | H351 | 107.7° | 109.5° |
| C34 | C35 | H352 | 108.4° | 109.4° |
| C35 | C34 | C33 | 109.2° | 109.5° |
| C35 | C34 | H341 | 109.6° | 109.5° |
| C35 | C34 | H342 | 109.5° | 109.5° |
| H351 | C35 | H352 | 112.0° | 109.4° |
| C33 | C34 | H341 | 109.6° | 109.5° |
| C33 | C34 | H342 | 109.5° | 109.5° |
| C34 | C33 | C32 | 115.7° | 109.4° |
| C34 | C33 | H331 | 106.0° | 109.4° |
| C34 | C33 | H332 | 107.5° | 109.5° |
| H341 | C34 | H342 | 109.3° | 109.4° |
| C32 | C33 | H331 | 106.0° | 109.5° |
| C32 | C33 | H332 | 107.4° | 109.4° |
| C33 | C32 | C31 | 113.0° | 109.5° |
| C33 | C32 | H321 | 107.5° | 109.5° |
| C33 | C32 | H322 | 108.3° | 109.5° |
| H331 | C33 | H332 | 114.5° | 109.5° |
| C31 | C32 | H321 | 107.5° | 109.5° |
| C31 | C32 | H322 | 108.3° | 109.4° |
| C32 | C31 | O31 | 119.5° | 120.0° |
| C32 | C31 | O2 | 123.1° | 120.0° |
| H321 | C32 | H322 | 112.3° | 109.5° |
| O31 | C31 | O2 | 117.4° | 120.0° |
| C31 | O2 | C2 | 109.1° | 120.0° |
| O2 | C2 | C1 | 122.9° | 109.4° |
| O2 | C2 | C3 | 111.3° | 109.5° |
| O2 | C2 | H2 | 97.5° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.5° |
| C1 | C2 | H2 | 99.9° | 109.4° |
| C2 | C1 | O3P | 110.4° | 109.5° |
| C2 | C1 | H11 | 108.9° | 109.5° |
| C2 | C1 | H12 | 109.2° | 109.5° |
| C3 | C2 | H2 | 114.8° | 109.5° |
| C2 | C3 | O3 | 117.6° | 109.5° |
| C2 | C3 | H31 | 105.0° | 109.4° |
| C2 | C3 | H32 | 106.8° | 109.5° |
| O3P | C1 | H11 | 109.0° | 109.5° |
| O3P | C1 | H12 | 109.2° | 109.5° |
| C1 | O3P | P | 121.9° | 106.8° |
| H11 | C1 | H12 | 110.2° | 109.4° |
| O3P | P | O1P | 108.4° | 109.5° |
| O3P | P | O2P | 107.0° | 109.5° |
| O3P | P | O4P | 103.6° | 109.5° |
| O1P | P | O2P | 120.1° | 109.5° |
| O1P | P | O4P | 104.9° | 109.5° |
| O2P | P | O4P | 111.7° | 109.5° |
| P | O2P | HO2P | 109.5° | 106.8° |
| P | O4P | C4 | 121.8° | 106.8° |
| O4P | C4 | C5 | 114.4° | 109.4° |
| O4P | C4 | H41 | 106.7° | 109.5° |
| O4P | C4 | H42 | 107.9° | 109.5° |
| C5 | C4 | H41 | 106.7° | 109.4° |
| C5 | C4 | H42 | 107.9° | 109.5° |
| C4 | C5 | N | 116.1° | 109.5° |
| C4 | C5 | H51 | 105.8° | 109.5° |
| C4 | C5 | H52 | 107.3° | 109.4° |
| H41 | C4 | H42 | 113.4° | 109.5° |
| N | C5 | H51 | 105.8° | 109.5° |
| N | C5 | H52 | 107.3° | 109.4° |
| C5 | N | C7 | 115.9° | 109.5° |
| C5 | N | C8 | 108.1° | 109.5° |
| C5 | N | C6 | 110.8° | 109.5° |
| H51 | C5 | H52 | 114.8° | 109.5° |
| C7 | N | C8 | 105.6° | 109.4° |
| C7 | N | C6 | 107.4° | 109.5° |
| N | C7 | H71 | 109.5° | 109.5° |
| N | C7 | H72 | 109.5° | 109.5° |
| N | C7 | H73 | 109.5° | 109.5° |
| C8 | N | C6 | 108.7° | 109.5° |
| N | C8 | H81 | 109.5° | 109.5° |
| N | C8 | H82 | 109.5° | 109.5° |
| N | C8 | H83 | 109.5° | 109.5° |
| N | C6 | H61 | 109.4° | 109.5° |
| N | C6 | H62 | 109.5° | 109.5° |
| N | C6 | H63 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.5° | 109.4° |
| H72 | C7 | H73 | 109.4° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.4° | 109.4° |
| H82 | C8 | H83 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| O3 | C3 | H31 | 105.0° | 109.5° |
| O3 | C3 | H32 | 106.8° | 109.5° |
| C3 | O3 | C11 | 111.8° | 120.0° |
| H31 | C3 | H32 | 116.1° | 109.5° |
| O3 | C11 | O11 | 121.3° | 120.0° |
| O3 | C11 | C12 | 113.7° | 119.9° |
| O11 | C11 | C12 | 125.0° | 120.0° |
| C11 | C12 | C13 | 105.1° | 109.4° |
| C11 | C12 | H121 | 111.9° | 109.5° |
| C11 | C12 | H122 | 111.0° | 109.4° |
| C13 | C12 | H121 | 111.9° | 109.5° |
| C13 | C12 | H122 | 111.0° | 109.5° |
| C12 | C13 | C14 | 110.5° | 109.4° |
| C12 | C13 | H131 | 108.9° | 109.5° |
| C12 | C13 | H132 | 109.1° | 109.5° |
| H121 | C12 | H122 | 106.1° | 109.5° |
| C14 | C13 | H131 | 108.9° | 109.5° |
| C14 | C13 | H132 | 109.1° | 109.4° |
| C13 | C14 | C15 | 111.2° | 109.5° |
| C13 | C14 | H141 | 108.5° | 109.5° |
| C13 | C14 | H142 | 108.9° | 109.5° |
| H131 | C13 | H132 | 110.3° | 109.5° |
| C15 | C14 | H141 | 108.5° | 109.5° |
| C15 | C14 | H142 | 108.9° | 109.4° |
| C14 | C15 | C16 | 110.0° | 109.5° |
| C14 | C15 | H151 | 109.2° | 109.5° |
| C14 | C15 | H152 | 109.3° | 109.4° |
| H141 | C14 | H142 | 110.9° | 109.5° |
| C16 | C15 | H151 | 109.2° | 109.5° |
| C16 | C15 | H152 | 109.3° | 109.4° |
| C15 | C16 | C17 | 108.4° | 109.5° |
| C15 | C16 | H161 | 110.0° | 109.5° |
| C15 | C16 | H162 | 109.8° | 109.5° |
| H151 | C15 | H152 | 109.8° | 109.5° |
| C17 | C16 | H161 | 110.0° | 109.4° |
| C17 | C16 | H162 | 109.8° | 109.4° |
| C16 | C17 | C18 | 110.1° | 109.5° |
| C16 | C17 | H171 | 109.1° | 109.4° |
| C16 | C17 | H172 | 109.3° | 109.5° |
| H161 | C16 | H162 | 108.7° | 109.5° |
| C18 | C17 | H171 | 109.1° | 109.5° |
| C18 | C17 | H172 | 109.3° | 109.5° |
| C17 | C18 | C19 | 107.1° | 109.4° |
| C17 | C18 | H181 | 110.8° | 109.4° |
| C17 | C18 | H182 | 110.3° | 109.5° |
| H171 | C17 | H172 | 109.9° | 109.4° |
| C19 | C18 | H181 | 110.8° | 109.5° |
| C19 | C18 | H182 | 110.3° | 109.5° |
| C18 | C19 | C20 | 109.8° | 109.5° |
| C18 | C19 | H191 | 109.3° | 109.5° |
| C18 | C19 | H192 | 109.3° | 109.5° |
| H181 | C18 | H182 | 107.6° | 109.5° |
| C20 | C19 | H191 | 109.3° | 109.4° |
| C20 | C19 | H192 | 109.4° | 109.5° |
| C19 | C20 | C21 | 109.8° | 109.5° |
| C19 | C20 | H201 | 109.3° | 109.4° |
| C19 | C20 | H202 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.8° | 109.5° |
| C21 | C20 | H201 | 109.3° | 109.5° |
| C21 | C20 | H202 | 109.4° | 109.5° |
| C20 | C21 | C22 | 109.8° | 109.5° |
| C20 | C21 | H211 | 109.3° | 109.5° |
| C20 | C21 | H212 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.7° | 109.5° |
| C22 | C21 | H211 | 109.3° | 109.4° |
| C22 | C21 | H212 | 109.4° | 109.5° |
| C21 | C22 | C23 | 110.2° | 109.5° |
| C21 | C22 | H221 | 109.1° | 109.4° |
| C21 | C22 | H222 | 109.2° | 109.4° |
| H211 | C21 | H212 | 109.7° | 109.4° |
| C23 | C22 | H221 | 109.1° | 109.5° |
| C23 | C22 | H222 | 109.2° | 109.5° |
| C22 | C23 | C24 | 109.1° | 109.4° |
| C22 | C23 | H231 | 109.7° | 109.5° |
| C22 | C23 | H232 | 109.6° | 109.5° |
| H221 | C22 | H222 | 110.0° | 109.5° |
| C24 | C23 | H231 | 109.7° | 109.5° |
| C24 | C23 | H232 | 109.6° | 109.4° |
| C23 | C24 | C25 | 111.2° | 109.5° |
| C23 | C24 | H241 | 108.5° | 109.5° |
| C23 | C24 | H242 | 108.9° | 109.4° |
| H231 | C23 | H232 | 109.2° | 109.5° |
| C25 | C24 | H241 | 108.5° | 109.5° |
| C25 | C24 | H242 | 108.9° | 109.4° |
| C24 | C25 | C26 | 112.8° | 109.5° |
| C24 | C25 | H251 | 107.6° | 109.5° |
| C24 | C25 | H252 | 108.4° | 109.4° |
| H241 | C24 | H242 | 110.8° | 109.5° |
| C26 | C25 | H251 | 107.6° | 109.5° |
| C26 | C25 | H252 | 108.4° | 109.5° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.4° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| H251 | C25 | H252 | 112.1° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C47 | C48 | H481 | H482 | 120.0° | 120.0° |
| C47 | C48 | H481 | H483 | 120.0° | 120.0° |
| C47 | C48 | H482 | H483 | 120.0° | 120.0° |
| C48 | C47 | C46 | H471 | 120.3° | 119.9° |
| C48 | C47 | C46 | H472 | 120.0° | 120.1° |
| C48 | C47 | H471 | H472 | 120.2° | 120.1° |
| C48 | C47 | C46 | C45 | 171.6° | 180.0° |
| C48 | C47 | C46 | H461 | 53.1° | 60.0° |
| C48 | C47 | C46 | H462 | 68.3° | 60.0° |
| H481 | C48 | H482 | H483 | 120.0° | 120.0° |
| H481 | C48 | C47 | C46 | 4.1° | 60.0° |
| H481 | C48 | C47 | H471 | 124.4° | 180.0° |
| H481 | C48 | C47 | H472 | 115.9° | 60.0° |
| H482 | C48 | C47 | C46 | 124.1° | 60.0° |
| H482 | C48 | C47 | H471 | 115.6° | 60.0° |
| H482 | C48 | C47 | H472 | 4.1° | 180.0° |
| H483 | C48 | C47 | C46 | 115.8° | 180.0° |
| H483 | C48 | C47 | H471 | 4.4° | 60.1° |
| H483 | C48 | C47 | H472 | 124.1° | 60.0° |
| C46 | C47 | H471 | H472 | 120.2° | 120.0° |
| C47 | C46 | C45 | H461 | 118.6° | 120.0° |
| C47 | C46 | C45 | H462 | 120.0° | 120.0° |
| C47 | C46 | H461 | H462 | 119.1° | 119.9° |
| C47 | C46 | C45 | C44 | 169.6° | 180.0° |
| C47 | C46 | C45 | H451 | 50.1° | 60.0° |
| C47 | C46 | C45 | H452 | 70.4° | 60.0° |
| H471 | C47 | C46 | C45 | 68.1° | 60.0° |
| H471 | C47 | C46 | H461 | 173.3° | 180.0° |
| H471 | C47 | C46 | H462 | 51.9° | 60.0° |
| H472 | C47 | C46 | C45 | 51.6° | 60.0° |
| H472 | C47 | C46 | H461 | 67.0° | 60.0° |
| H472 | C47 | C46 | H462 | 171.6° | 180.0° |
| C45 | C46 | H461 | H462 | 119.1° | 120.1° |
| C46 | C45 | C44 | H451 | 119.4° | 120.0° |
| C46 | C45 | C44 | H452 | 120.0° | 120.0° |
| C46 | C45 | H451 | H452 | 119.6° | 120.0° |
| C46 | C45 | C44 | C43 | 62.9° | 180.0° |
| C46 | C45 | C44 | H441 | 177.0° | 60.0° |
| C46 | C45 | C44 | H442 | 57.1° | 60.0° |
| H461 | C46 | C45 | C44 | 71.8° | 60.0° |
| H461 | C46 | C45 | H451 | 168.7° | 180.0° |
| H461 | C46 | C45 | H452 | 48.2° | 60.0° |
| H462 | C46 | C45 | C44 | 49.6° | 60.0° |
| H462 | C46 | C45 | H451 | 69.9° | 59.9° |
| H462 | C46 | C45 | H452 | 169.6° | 180.0° |
| C44 | C45 | H451 | H452 | 119.6° | 120.0° |
| C45 | C44 | C43 | H441 | 120.1° | 120.1° |
| C45 | C44 | C43 | H442 | 120.0° | 120.0° |
| C45 | C44 | H441 | H442 | 120.0° | 120.0° |
| C45 | C44 | C43 | C42 | 128.8° | 180.0° |
| C45 | C44 | C43 | H431 | 115.3° | 60.0° |
| C45 | C44 | C43 | H432 | 8.8° | 60.0° |
| H451 | C45 | C44 | C43 | 56.6° | 60.0° |
| H451 | C45 | C44 | H441 | 63.5° | 180.0° |
| H451 | C45 | C44 | H442 | 176.5° | 60.0° |
| H452 | C45 | C44 | C43 | 177.1° | 60.0° |
| H452 | C45 | C44 | H441 | 57.0° | 60.0° |
| H452 | C45 | C44 | H442 | 62.9° | 180.0° |
| C43 | C44 | H441 | H442 | 120.0° | 119.9° |
| C44 | C43 | C42 | H431 | 116.0° | 120.0° |
| C44 | C43 | C42 | H432 | 120.0° | 120.0° |
| C44 | C43 | H431 | H432 | 117.6° | 120.0° |
| C44 | C43 | C42 | C41 | 165.6° | 180.0° |
| C44 | C43 | C42 | H421 | 73.5° | 60.0° |
| C44 | C43 | C42 | H422 | 45.6° | 60.0° |
| H441 | C44 | C43 | C42 | 8.7° | 59.9° |
| H441 | C44 | C43 | H431 | 124.7° | 180.0° |
| H441 | C44 | C43 | H432 | 111.3° | 60.1° |
| H442 | C44 | C43 | C42 | 111.2° | 60.0° |
| H442 | C44 | C43 | H431 | 4.7° | 60.0° |
| H442 | C44 | C43 | H432 | 128.8° | 180.0° |
| C42 | C43 | H431 | H432 | 117.5° | 120.0° |
| C43 | C42 | C41 | H421 | 121.0° | 120.0° |
| C43 | C42 | C41 | H422 | 120.0° | 120.0° |
| C43 | C42 | H421 | H422 | 120.7° | 120.0° |
| C43 | C42 | C41 | C40 | 157.0° | 180.0° |
| C43 | C42 | C41 | H411 | 85.0° | 59.9° |
| C43 | C42 | C41 | H412 | 37.0° | 60.0° |
| H431 | C43 | C42 | C41 | 49.6° | 60.0° |
| H431 | C43 | C42 | H421 | 170.6° | 180.0° |
| H431 | C43 | C42 | H422 | 70.3° | 60.0° |
| H432 | C43 | C42 | C41 | 74.4° | 60.0° |
| H432 | C43 | C42 | H421 | 46.6° | 60.0° |
| H432 | C43 | C42 | H422 | 165.6° | 180.0° |
| C41 | C42 | H421 | H422 | 120.6° | 120.0° |
| C42 | C41 | C40 | H411 | 118.0° | 120.1° |
| C42 | C41 | C40 | H412 | 120.0° | 120.0° |
| C42 | C41 | H411 | H412 | 118.7° | 119.9° |
| C42 | C41 | C40 | C39 | 119.8° | 180.0° |
| C42 | C41 | C40 | H401 | 0.5° | 60.0° |
| C42 | C41 | C40 | H402 | 120.2° | 60.1° |
| H421 | C42 | C41 | C40 | 36.1° | 60.0° |
| H421 | C42 | C41 | H411 | 154.0° | 179.9° |
| H421 | C42 | C41 | H412 | 84.0° | 60.0° |
| H422 | C42 | C41 | C40 | 83.0° | 60.0° |
| H422 | C42 | C41 | H411 | 35.0° | 60.1° |
| H422 | C42 | C41 | H412 | 157.0° | 180.0° |
| C40 | C41 | H411 | H412 | 118.8° | 120.0° |
| C41 | C40 | C39 | H401 | 119.3° | 120.0° |
| C41 | C40 | C39 | H402 | 120.0° | 120.0° |
| C41 | C40 | H401 | H402 | 119.6° | 120.0° |
| C41 | C40 | C39 | C38 | 165.5° | 179.9° |
| C41 | C40 | C39 | H391 | 46.7° | 60.0° |
| C41 | C40 | C39 | H392 | 74.5° | 60.0° |
| H411 | C41 | C40 | C39 | 122.2° | 60.0° |
| H411 | C41 | C40 | H401 | 118.4° | 179.9° |
| H411 | C41 | C40 | H402 | 2.2° | 60.0° |
| H412 | C41 | C40 | C39 | 0.2° | 60.0° |
| H412 | C41 | C40 | H401 | 119.5° | 60.0° |
| H412 | C41 | C40 | H402 | 119.8° | 180.0° |
| C39 | C40 | H401 | H402 | 119.6° | 120.0° |
| C40 | C39 | C38 | H391 | 118.8° | 120.0° |
| C40 | C39 | C38 | H392 | 120.0° | 120.1° |
| C40 | C39 | H391 | H392 | 119.2° | 120.1° |
| C40 | C39 | C38 | C37 | 170.3° | 180.0° |
| C40 | C39 | C38 | H381 | 69.9° | 60.0° |
| C40 | C39 | C38 | H382 | 50.3° | 59.9° |
| H401 | C40 | C39 | C38 | 75.1° | 60.1° |
| H401 | C40 | C39 | H391 | 166.1° | 180.0° |
| H401 | C40 | C39 | H392 | 44.9° | 60.0° |
| H402 | C40 | C39 | C38 | 45.5° | 59.9° |
| H402 | C40 | C39 | H391 | 73.3° | 60.0° |
| H402 | C40 | C39 | H392 | 165.6° | 180.0° |
| C38 | C39 | H391 | H392 | 119.2° | 120.0° |
| C39 | C38 | C37 | H381 | 119.9° | 119.9° |
| C39 | C38 | C37 | H382 | 120.0° | 120.1° |
| C39 | C38 | H381 | H382 | 119.9° | 120.0° |
| C39 | C38 | C37 | BR2 | 68.1° | 64.9° |
| C39 | C38 | C37 | C36 | 167.7° | 175.0° |
| C39 | C38 | C37 | H37 | 52.2° | 55.1° |
| H391 | C39 | C38 | C37 | 51.4° | 60.0° |
| H391 | C39 | C38 | H381 | 171.3° | 180.0° |
| H391 | C39 | C38 | H382 | 68.5° | 60.1° |
| H392 | C39 | C38 | C37 | 69.7° | 59.9° |
| H392 | C39 | C38 | H381 | 50.1° | 60.1° |
| H392 | C39 | C38 | H382 | 170.3° | 180.0° |
| C37 | C38 | H381 | H382 | 119.9° | 120.1° |
| C38 | C37 | BR2 | C36 | 122.5° | 120.0° |
| C38 | C37 | BR2 | H37 | 122.1° | 120.0° |
| C38 | C37 | C36 | H37 | 121.9° | 119.9° |
| C38 | C37 | C36 | BR1 | 50.5° | 60.1° |
| C38 | C37 | C36 | C35 | 168.2° | 180.0° |
| C38 | C37 | C36 | H36 | 74.0° | 60.0° |
| H381 | C38 | C37 | BR2 | 51.8° | 55.0° |
| H381 | C38 | C37 | C36 | 72.5° | 65.0° |
| H381 | C38 | C37 | H37 | 172.1° | 175.0° |
| H382 | C38 | C37 | BR2 | 172.0° | 175.0° |
| H382 | C38 | C37 | C36 | 47.7° | 55.0° |
| H382 | C38 | C37 | H37 | 67.8° | 65.0° |
| BR2 | C37 | C36 | H37 | 120.0° | 120.1° |
| BR2 | C37 | C36 | BR1 | 67.7° | 59.9° |
| BR2 | C37 | C36 | C35 | 50.1° | 60.0° |
| BR2 | C37 | C36 | H36 | 167.9° | 180.0° |
| C37 | C36 | BR1 | C35 | 124.3° | 120.0° |
| C37 | C36 | BR1 | H36 | 117.9° | 120.1° |
| C37 | C36 | C35 | H36 | 117.9° | 120.0° |
| C37 | C36 | C35 | C34 | 177.4° | 175.0° |
| C37 | C36 | C35 | H351 | 64.0° | 55.0° |
| C37 | C36 | C35 | H352 | 57.4° | 65.0° |
| H37 | C37 | C36 | BR1 | 172.4° | 180.0° |
| H37 | C37 | C36 | C35 | 69.9° | 60.0° |
| H37 | C37 | C36 | H36 | 47.9° | 59.9° |
| BR1 | C36 | C35 | H36 | 124.5° | 120.0° |
| BR1 | C36 | C35 | C34 | 59.8° | 65.0° |
| BR1 | C36 | C35 | H351 | 178.4° | 175.0° |
| BR1 | C36 | C35 | H352 | 60.2° | 55.0° |
| C36 | C35 | C34 | H351 | 118.6° | 120.1° |
| C36 | C35 | C34 | H352 | 120.0° | 120.0° |
| C36 | C35 | H351 | H352 | 119.1° | 120.1° |
| C36 | C35 | C34 | C33 | 137.2° | 180.0° |
| C36 | C35 | C34 | H341 | 102.8° | 60.0° |
| C36 | C35 | C34 | H342 | 17.2° | 60.0° |
| H36 | C36 | C35 | C34 | 64.7° | 55.0° |
| H36 | C36 | C35 | H351 | 53.9° | 65.0° |
| H36 | C36 | C35 | H352 | 175.3° | 175.0° |
| C34 | C35 | H351 | H352 | 119.1° | 119.9° |
| C35 | C34 | C33 | H341 | 120.1° | 120.0° |
| C35 | C34 | C33 | H342 | 120.0° | 120.1° |
| C35 | C34 | H341 | H342 | 120.1° | 120.0° |
| C35 | C34 | C33 | C32 | 147.6° | 180.0° |
| C35 | C34 | C33 | H331 | 95.3° | 60.0° |
| C35 | C34 | C33 | H332 | 27.6° | 60.0° |
| H351 | C35 | C34 | C33 | 18.5° | 60.0° |
| H351 | C35 | C34 | H341 | 138.6° | 180.0° |
| H351 | C35 | C34 | H342 | 101.4° | 60.1° |
| H352 | C35 | C34 | C33 | 102.8° | 59.9° |
| H352 | C35 | C34 | H341 | 17.3° | 60.1° |
| H352 | C35 | C34 | H342 | 137.2° | 180.0° |
| C33 | C34 | H341 | H342 | 120.1° | 120.0° |
| C34 | C33 | C32 | H331 | 117.1° | 119.9° |
| C34 | C33 | C32 | H332 | 120.0° | 120.0° |
| C34 | C33 | H331 | H332 | 118.3° | 120.1° |
| C34 | C33 | C32 | C31 | 158.9° | 179.9° |
| C34 | C33 | C32 | H321 | 82.6° | 60.0° |
| C34 | C33 | C32 | H322 | 38.9° | 60.0° |
| H341 | C34 | C33 | C32 | 27.5° | 60.0° |
| H341 | C34 | C33 | H331 | 144.6° | 180.0° |
| H341 | C34 | C33 | H332 | 92.5° | 60.0° |
| H342 | C34 | C33 | C32 | 92.4° | 60.0° |
| H342 | C34 | C33 | H331 | 24.7° | 60.0° |
| H342 | C34 | C33 | H332 | 147.6° | 179.9° |
| C32 | C33 | H331 | H332 | 118.2° | 120.0° |
| C33 | C32 | C31 | H321 | 118.5° | 120.0° |
| C33 | C32 | C31 | H322 | 120.0° | 120.0° |
| C33 | C32 | H321 | H322 | 119.0° | 120.0° |
| C33 | C32 | C31 | O31 | 114.9° | 0.1° |
| C33 | C32 | C31 | O2 | 67.4° | 180.0° |
| H331 | C33 | C32 | C31 | 41.8° | 60.0° |
| H331 | C33 | C32 | H321 | 160.3° | 180.0° |
| H331 | C33 | C32 | H322 | 78.2° | 59.9° |
| H332 | C33 | C32 | C31 | 81.1° | 60.0° |
| H332 | C33 | C32 | H321 | 37.4° | 60.0° |
| H332 | C33 | C32 | H322 | 159.0° | 180.0° |
| C31 | C32 | H321 | H322 | 119.0° | 120.0° |
| C32 | C31 | O31 | O2 | 177.9° | 179.9° |
| C32 | C31 | O2 | C2 | 66.9° | 179.9° |
| H321 | C32 | C31 | O31 | 3.6° | 120.0° |
| H321 | C32 | C31 | O2 | 174.1° | 60.0° |
| H322 | C32 | C31 | O31 | 125.1° | 120.0° |
| H322 | C32 | C31 | O2 | 52.6° | 60.0° |
| O31 | C31 | O2 | C2 | 110.9° | 0.0° |
| C31 | O2 | C2 | C1 | 112.7° | 90.0° |
| C31 | O2 | C2 | C3 | 114.6° | 150.0° |
| C31 | O2 | C2 | H2 | 5.8° | 29.9° |
| O2 | C2 | C1 | C3 | 133.4° | 120.0° |
| O2 | C2 | C1 | H2 | 105.7° | 120.0° |
| O2 | C2 | C3 | H2 | 109.6° | 120.0° |
| O2 | C2 | C1 | O3P | 141.5° | 65.0° |
| O2 | C2 | C1 | H11 | 98.8° | 175.0° |
| O2 | C2 | C1 | H12 | 21.5° | 55.0° |
| O2 | C2 | C3 | O3 | 174.4° | 65.0° |
| O2 | C2 | C3 | H31 | 69.5° | 175.0° |
| O2 | C2 | C3 | H32 | 54.4° | 55.0° |
| C1 | C2 | C3 | H2 | 111.3° | 120.0° |
| C2 | C1 | O3P | H11 | 119.6° | 120.0° |
| C2 | C1 | O3P | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 119.7° | 120.0° |
| C2 | C1 | O3P | P | 73.9° | 180.0° |
| C1 | C2 | C3 | O3 | 35.3° | 55.0° |
| C1 | C2 | C3 | H31 | 151.5° | 65.0° |
| C1 | C2 | C3 | H32 | 84.7° | 175.0° |
| C3 | C2 | C1 | O3P | 85.1° | 55.0° |
| C3 | C2 | C1 | H11 | 34.5° | 65.0° |
| C3 | C2 | C1 | H12 | 154.9° | 175.0° |
| C2 | C3 | O3 | H31 | 116.2° | 120.0° |
| C2 | C3 | O3 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 117.7° | 120.0° |
| C2 | C3 | O3 | C11 | 77.8° | 180.0° |
| H2 | C2 | C1 | O3P | 35.8° | 175.0° |
| H2 | C2 | C1 | H11 | 155.4° | 55.0° |
| H2 | C2 | C1 | H12 | 84.2° | 65.0° |
| H2 | C2 | C3 | O3 | 76.0° | 175.0° |
| H2 | C2 | C3 | H31 | 40.1° | 55.0° |
| H2 | C2 | C3 | H32 | 163.9° | 65.0° |
| O3P | C1 | H11 | H12 | 119.8° | 120.0° |
| C1 | O3P | P | O1P | 40.7° | 55.0° |
| C1 | O3P | P | O2P | 90.1° | 65.0° |
| C1 | O3P | P | O4P | 151.7° | 175.0° |
| H11 | C1 | O3P | P | 166.5° | 60.0° |
| H12 | C1 | O3P | P | 46.1° | 60.0° |
| O3P | P | O1P | O2P | 123.3° | 120.0° |
| O3P | P | O1P | O4P | 110.1° | 120.0° |
| O3P | P | O2P | O4P | 112.7° | 120.0° |
| O3P | P | O2P | HO2P | 124.2° | 60.0° |
| O3P | P | O4P | C4 | 135.3° | 175.0° |
| O1P | P | O2P | O4P | 123.3° | 120.0° |
| O1P | P | O2P | HO2P | 111.9° | 180.0° |
| O1P | P | O4P | C4 | 21.8° | 55.0° |
| O2P | P | O4P | C4 | 109.8° | 65.0° |
| O4P | P | O2P | HO2P | 11.5° | 59.9° |
| P | O4P | C4 | C5 | 158.5° | 180.0° |
| P | O4P | C4 | H41 | 83.6° | 60.0° |
| P | O4P | C4 | H42 | 38.5° | 60.0° |
| O4P | C4 | C5 | H41 | 117.8° | 120.0° |
| O4P | C4 | C5 | H42 | 120.0° | 120.0° |
| O4P | C4 | H41 | H42 | 118.6° | 120.1° |
| O4P | C4 | C5 | N | 136.1° | 66.5° |
| O4P | C4 | C5 | H51 | 106.9° | 173.5° |
| O4P | C4 | C5 | H52 | 16.1° | 53.4° |
| C5 | C4 | H41 | H42 | 118.6° | 120.0° |
| C4 | C5 | N | H51 | 117.0° | 120.0° |
| C4 | C5 | N | H52 | 120.0° | 119.9° |
| C4 | C5 | H51 | H52 | 118.1° | 120.0° |
| C4 | C5 | N | C7 | 28.8° | 54.5° |
| C4 | C5 | N | C8 | 147.2° | 174.4° |
| C4 | C5 | N | C6 | 93.8° | 65.5° |
| H41 | C4 | C5 | N | 18.3° | 53.5° |
| H41 | C4 | C5 | H51 | 135.3° | 66.6° |
| H41 | C4 | C5 | H52 | 101.7° | 173.4° |
| H42 | C4 | C5 | N | 103.9° | 173.5° |
| H42 | C4 | C5 | H51 | 13.1° | 53.4° |
| H42 | C4 | C5 | H52 | 136.1° | 66.6° |
| N | C5 | H51 | H52 | 118.1° | 120.0° |
| C5 | N | C7 | C8 | 119.7° | 119.9° |
| C5 | N | C7 | C6 | 124.4° | 120.1° |
| C5 | N | C8 | C6 | 120.3° | 120.1° |
| C5 | N | C7 | H71 | 8.5° | 59.9° |
| C5 | N | C7 | H72 | 128.5° | 180.0° |
| C5 | N | C7 | H73 | 111.5° | 60.0° |
| C5 | N | C8 | H81 | 100.3° | 60.0° |
| C5 | N | C8 | H82 | 139.6° | 180.0° |
| C5 | N | C8 | H83 | 19.6° | 59.9° |
| C5 | N | C6 | H61 | 82.8° | 71.0° |
| C5 | N | C6 | H62 | 157.2° | 169.0° |
| C5 | N | C6 | H63 | 37.2° | 49.0° |
| H51 | C5 | N | C7 | 88.1° | 65.5° |
| H51 | C5 | N | C8 | 30.2° | 54.4° |
| H51 | C5 | N | C6 | 149.2° | 174.4° |
| H52 | C5 | N | C7 | 148.9° | 174.4° |
| H52 | C5 | N | C8 | 92.8° | 65.7° |
| H52 | C5 | N | C6 | 26.2° | 54.4° |
| C7 | N | C8 | C6 | 115.0° | 120.0° |
| N | C7 | H71 | H72 | 120.0° | 120.1° |
| N | C7 | H71 | H73 | 120.0° | 120.0° |
| N | C7 | H72 | H73 | 120.0° | 120.0° |
| C7 | N | C8 | H81 | 135.0° | 180.0° |
| C7 | N | C8 | H82 | 15.0° | 60.0° |
| C7 | N | C8 | H83 | 105.0° | 60.1° |
| C7 | N | C6 | H61 | 44.7° | 49.1° |
| C7 | N | C6 | H62 | 75.3° | 70.9° |
| C7 | N | C6 | H63 | 164.7° | 169.0° |
| C8 | N | C7 | H71 | 111.2° | 60.0° |
| C8 | N | C7 | H72 | 8.8° | 60.0° |
| C8 | N | C7 | H73 | 128.8° | 180.0° |
| N | C8 | H81 | H82 | 120.0° | 120.0° |
| N | C8 | H81 | H83 | 120.0° | 120.0° |
| N | C8 | H82 | H83 | 120.0° | 120.1° |
| C8 | N | C6 | H61 | 158.6° | 169.0° |
| C8 | N | C6 | H62 | 38.6° | 49.0° |
| C8 | N | C6 | H63 | 81.5° | 71.0° |
| C6 | N | C7 | H71 | 132.9° | 180.0° |
| C6 | N | C7 | H72 | 107.0° | 59.9° |
| C6 | N | C7 | H73 | 12.9° | 60.0° |
| C6 | N | C8 | H81 | 20.0° | 60.1° |
| C6 | N | C8 | H82 | 100.1° | 60.0° |
| C6 | N | C8 | H83 | 139.9° | 180.0° |
| N | C6 | H61 | H62 | 120.0° | 120.0° |
| N | C6 | H61 | H63 | 120.0° | 119.9° |
| N | C6 | H62 | H63 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 119.9° |
| H81 | C8 | H82 | H83 | 120.0° | 119.9° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| O3 | C3 | H31 | H32 | 117.7° | 120.0° |
| C3 | O3 | C11 | O11 | 98.2° | 0.0° |
| C3 | O3 | C11 | C12 | 80.7° | 180.0° |
| H31 | C3 | O3 | C11 | 38.4° | 60.0° |
| H32 | C3 | O3 | C11 | 162.2° | 60.0° |
| O3 | C11 | O11 | C12 | 178.8° | 180.0° |
| O3 | C11 | C12 | C13 | 25.2° | 180.0° |
| O3 | C11 | C12 | H121 | 146.8° | 60.0° |
| O3 | C11 | C12 | H122 | 94.9° | 60.0° |
| O11 | C11 | C12 | C13 | 155.9° | 0.1° |
| O11 | C11 | C12 | H121 | 34.3° | 120.0° |
| O11 | C11 | C12 | H122 | 84.0° | 120.0° |
| C11 | C12 | C13 | H121 | 121.6° | 120.0° |
| C11 | C12 | C13 | H122 | 120.0° | 119.9° |
| C11 | C12 | H121 | H122 | 121.2° | 120.0° |
| C11 | C12 | C13 | C14 | 105.9° | 180.0° |
| C11 | C12 | C13 | H131 | 13.7° | 60.0° |
| C11 | C12 | C13 | H132 | 134.1° | 60.1° |
| C13 | C12 | H121 | H122 | 121.2° | 120.0° |
| C12 | C13 | C14 | H131 | 119.6° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 119.9° |
| C12 | C13 | H131 | H132 | 119.7° | 120.0° |
| C12 | C13 | C14 | C15 | 78.5° | 180.0° |
| C12 | C13 | C14 | H141 | 40.8° | 60.0° |
| C12 | C13 | C14 | H142 | 161.5° | 60.0° |
| H121 | C12 | C13 | C14 | 132.5° | 60.0° |
| H121 | C12 | C13 | H131 | 108.0° | 180.0° |
| H121 | C12 | C13 | H132 | 12.5° | 60.0° |
| H122 | C12 | C13 | C14 | 14.2° | 60.1° |
| H122 | C12 | C13 | H131 | 133.7° | 60.0° |
| H122 | C12 | C13 | H132 | 105.8° | 180.0° |
| C14 | C13 | H131 | H132 | 119.7° | 120.0° |
| C13 | C14 | C15 | H141 | 119.2° | 120.1° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 119.5° | 120.0° |
| C13 | C14 | C15 | C16 | 103.3° | 180.0° |
| C13 | C14 | C15 | H151 | 16.5° | 59.9° |
| C13 | C14 | C15 | H152 | 136.7° | 60.1° |
| H131 | C13 | C14 | C15 | 161.9° | 60.0° |
| H131 | C13 | C14 | H141 | 78.8° | 180.0° |
| H131 | C13 | C14 | H142 | 41.9° | 60.0° |
| H132 | C13 | C14 | C15 | 41.5° | 60.1° |
| H132 | C13 | C14 | H141 | 160.8° | 60.0° |
| H132 | C13 | C14 | H142 | 78.5° | 180.0° |
| C15 | C14 | H141 | H142 | 119.6° | 120.0° |
| C14 | C15 | C16 | H151 | 119.8° | 120.0° |
| C14 | C15 | C16 | H152 | 120.0° | 119.9° |
| C14 | C15 | H151 | H152 | 119.9° | 120.0° |
| C14 | C15 | C16 | C17 | 163.0° | 180.0° |
| C14 | C15 | C16 | H161 | 76.6° | 60.0° |
| C14 | C15 | C16 | H162 | 43.0° | 60.1° |
| H141 | C14 | C15 | C16 | 137.5° | 59.9° |
| H141 | C14 | C15 | H151 | 102.7° | NaN° |
| H141 | C14 | C15 | H152 | 17.5° | 60.0° |
| H142 | C14 | C15 | C16 | 16.7° | 60.0° |
| H142 | C14 | C15 | H151 | 136.5° | 60.0° |
| H142 | C14 | C15 | H152 | 103.3° | 180.0° |
| C16 | C15 | H151 | H152 | 119.9° | 120.0° |
| C15 | C16 | C17 | H161 | 120.4° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 120.3° | 120.0° |
| C15 | C16 | C17 | C18 | 121.5° | 180.0° |
| C15 | C16 | C17 | H171 | 118.7° | 60.0° |
| C15 | C16 | C17 | H172 | 1.5° | 60.0° |
| H151 | C15 | C16 | C17 | 43.2° | 60.0° |
| H151 | C15 | C16 | H161 | 163.6° | 180.0° |
| H151 | C15 | C16 | H162 | 76.8° | 60.0° |
| H152 | C15 | C16 | C17 | 77.0° | 60.0° |
| H152 | C15 | C16 | H161 | 43.4° | 60.0° |
| H152 | C15 | C16 | H162 | 163.0° | 180.0° |
| C17 | C16 | H161 | H162 | 120.3° | 119.9° |
| C16 | C17 | C18 | H171 | 119.8° | 120.0° |
| C16 | C17 | C18 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 119.8° | 119.9° |
| C16 | C17 | C18 | C19 | 113.9° | 180.0° |
| C16 | C17 | C18 | H181 | 125.2° | 60.0° |
| C16 | C17 | C18 | H182 | 6.1° | 60.0° |
| H161 | C16 | C17 | C18 | 1.1° | 60.0° |
| H161 | C16 | C17 | H171 | 120.9° | 180.0° |
| H161 | C16 | C17 | H172 | 118.9° | 60.1° |
| H162 | C16 | C17 | C18 | 118.5° | 60.0° |
| H162 | C16 | C17 | H171 | 1.3° | 60.0° |
| H162 | C16 | C17 | H172 | 121.5° | 180.0° |
| C18 | C17 | H171 | H172 | 119.8° | 120.1° |
| C17 | C18 | C19 | H181 | 120.9° | 120.0° |
| C17 | C18 | C19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.7° | 120.0° |
| C17 | C18 | C19 | C20 | 98.5° | 180.0° |
| C17 | C18 | C19 | H191 | 141.7° | 60.0° |
| C17 | C18 | C19 | H192 | 21.5° | 60.0° |
| H171 | C17 | C18 | C19 | 5.9° | 60.1° |
| H171 | C17 | C18 | H181 | 115.0° | 180.0° |
| H171 | C17 | C18 | H182 | 125.9° | 60.0° |
| H172 | C17 | C18 | C19 | 126.2° | 59.9° |
| H172 | C17 | C18 | H181 | 5.2° | 60.0° |
| H172 | C17 | C18 | H182 | 113.8° | 180.0° |
| C19 | C18 | H181 | H182 | 120.6° | 120.0° |
| C18 | C19 | C20 | H191 | 119.9° | 120.0° |
| C18 | C19 | C20 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H192 | 119.9° | 120.0° |
| C18 | C19 | C20 | C21 | 51.6° | 180.0° |
| C18 | C19 | C20 | H201 | 171.5° | 60.0° |
| C18 | C19 | C20 | H202 | 68.3° | 60.0° |
| H181 | C18 | C19 | C20 | 22.4° | 60.1° |
| H181 | C18 | C19 | H191 | 97.4° | 180.0° |
| H181 | C18 | C19 | H192 | 142.4° | 60.0° |
| H182 | C18 | C19 | C20 | 141.5° | 60.0° |
| H182 | C18 | C19 | H191 | 21.6° | 60.0° |
| H182 | C18 | C19 | H192 | 98.5° | 180.0° |
| C20 | C19 | H191 | H192 | 119.9° | 120.0° |
| C19 | C20 | C21 | H201 | 119.9° | 120.0° |
| C19 | C20 | C21 | H202 | 120.0° | 120.1° |
| C19 | C20 | H201 | H202 | 119.9° | 120.0° |
| C19 | C20 | C21 | C22 | 155.2° | 180.0° |
| C19 | C20 | C21 | H211 | 84.9° | 60.0° |
| C19 | C20 | C21 | H212 | 35.2° | 59.9° |
| H191 | C19 | C20 | C21 | 68.2° | 60.0° |
| H191 | C19 | C20 | H201 | 51.7° | 180.0° |
| H191 | C19 | C20 | H202 | 171.8° | 60.0° |
| H192 | C19 | C20 | C21 | 171.6° | 60.0° |
| H192 | C19 | C20 | H201 | 68.5° | 60.0° |
| H192 | C19 | C20 | H202 | 51.6° | NaN° |
| C21 | C20 | H201 | H202 | 119.9° | 120.0° |
| C20 | C21 | C22 | H211 | 119.9° | 120.0° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 119.9° | 120.0° |
| C20 | C21 | C22 | C23 | 58.1° | 180.0° |
| C20 | C21 | C22 | H221 | 61.6° | 60.0° |
| C20 | C21 | C22 | H222 | 178.1° | 60.0° |
| H201 | C20 | C21 | C22 | 35.3° | 60.0° |
| H201 | C20 | C21 | H211 | 155.2° | 180.0° |
| H201 | C20 | C21 | H212 | 84.6° | 60.0° |
| H202 | C20 | C21 | C22 | 84.8° | 60.0° |
| H202 | C20 | C21 | H211 | 35.1° | 60.0° |
| H202 | C20 | C21 | H212 | 155.2° | 180.0° |
| C22 | C21 | H211 | H212 | 119.9° | 120.0° |
| C21 | C22 | C23 | H221 | 119.7° | 120.0° |
| C21 | C22 | C23 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 119.8° | 120.0° |
| C21 | C22 | C23 | C24 | 159.2° | 180.0° |
| C21 | C22 | C23 | H231 | 39.0° | 60.0° |
| C21 | C22 | C23 | H232 | 80.8° | 60.0° |
| H211 | C21 | C22 | C23 | 178.0° | 60.0° |
| H211 | C21 | C22 | H221 | 58.3° | 180.0° |
| H211 | C21 | C22 | H222 | 62.0° | 60.0° |
| H212 | C21 | C22 | C23 | 61.9° | 60.0° |
| H212 | C21 | C22 | H221 | 178.4° | 60.0° |
| H212 | C21 | C22 | H222 | 58.1° | 180.0° |
| C23 | C22 | H221 | H222 | 119.8° | 120.0° |
| C22 | C23 | C24 | H231 | 120.2° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 120.1° | 120.0° |
| C22 | C23 | C24 | C25 | 23.7° | 180.0° |
| C22 | C23 | C24 | H241 | 143.0° | 60.0° |
| C22 | C23 | C24 | H242 | 96.3° | 60.0° |
| H221 | C22 | C23 | C24 | 81.1° | 60.0° |
| H221 | C22 | C23 | H231 | 158.8° | 180.0° |
| H221 | C22 | C23 | H232 | 38.9° | 59.9° |
| H222 | C22 | C23 | C24 | 39.2° | 60.1° |
| H222 | C22 | C23 | H231 | 80.9° | 60.0° |
| H222 | C22 | C23 | H232 | 159.2° | 180.0° |
| C24 | C23 | H231 | H232 | 120.1° | 120.0° |
| C23 | C24 | C25 | H241 | 119.3° | 120.1° |
| C23 | C24 | C25 | H242 | 120.0° | 119.9° |
| C23 | C24 | H241 | H242 | 119.5° | 120.0° |
| C23 | C24 | C25 | C26 | 104.2° | NaN° |
| C23 | C24 | C25 | H251 | 137.3° | 59.9° |
| C23 | C24 | C25 | H252 | 15.8° | 60.0° |
| H231 | C23 | C24 | C25 | 96.4° | 60.0° |
| H231 | C23 | C24 | H241 | 22.9° | 180.0° |
| H231 | C23 | C24 | H242 | 143.6° | 60.0° |
| H232 | C23 | C24 | C25 | 143.7° | 60.1° |
| H232 | C23 | C24 | H241 | 97.0° | 60.0° |
| H232 | C23 | C24 | H242 | 23.7° | 180.0° |
| C25 | C24 | H241 | H242 | 119.5° | 120.0° |
| C24 | C25 | C26 | H251 | 118.6° | 120.1° |
| C24 | C25 | C26 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 119.1° | 120.0° |
| C24 | C25 | C26 | H261 | 6.8° | 180.0° |
| C24 | C25 | C26 | H262 | 126.8° | 60.1° |
| C24 | C25 | C26 | H263 | 113.2° | 60.0° |
| H241 | C24 | C25 | C26 | 15.1° | 59.9° |
| H241 | C24 | C25 | H251 | 103.4° | 180.0° |
| H241 | C24 | C25 | H252 | 135.1° | 60.0° |
| H242 | C24 | C25 | C26 | 135.8° | 60.1° |
| H242 | C24 | C25 | H251 | 17.3° | 60.0° |
| H242 | C24 | C25 | H252 | 104.2° | 180.0° |
| C26 | C25 | H251 | H252 | 119.1° | 120.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| H251 | C25 | C26 | H261 | 111.8° | 60.0° |
| H251 | C25 | C26 | H262 | 8.2° | 60.0° |
| H251 | C25 | C26 | H263 | 128.2° | 180.0° |
| H252 | C25 | C26 | H261 | 126.8° | 60.0° |
| H252 | C25 | C26 | H262 | 113.2° | 180.0° |
| H252 | C25 | C26 | H263 | 6.8° | 60.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
