6PL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | O11 | doub | 1.21Å | 1.23Å | |
| C11 | O3 | sing | 1.34Å | 1.37Å | |
| O3 | C3 | sing | 1.45Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C2 | O2 | sing | 1.45Å | 1.46Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | O3P | sing | 1.43Å | 1.44Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O3P | P | sing | 1.61Å | 1.61Å | |
| P | O1P | doub | 1.48Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O4P | sing | 1.61Å | 1.65Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O4P | C4 | sing | 1.43Å | 1.45Å | |
| 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 | 1.49Å | |
| 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 | 1.48Å | |
| N | C6 | sing | 1.47Å | 1.47Å | |
| 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 | |
| O2 | C31 | sing | 1.34Å | 1.36Å | |
| C31 | O31 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.38Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.38Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.38Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.39Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.39Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.39Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.51Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C47 | C48 | sing | 1.53Å | 1.51Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| C26 | C25 | C24 | 111.7° | 109.5° |
| C26 | C25 | H251 | 108.3° | 109.5° |
| C26 | C25 | H252 | 108.8° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| C24 | C25 | H251 | 108.2° | 109.5° |
| C24 | C25 | H252 | 108.7° | 109.4° |
| C25 | C24 | C23 | 110.7° | 109.5° |
| C25 | C24 | H241 | 108.8° | 109.5° |
| C25 | C24 | H242 | 109.1° | 109.4° |
| H251 | C25 | H252 | 111.2° | 109.4° |
| C23 | C24 | H241 | 108.8° | 109.5° |
| C23 | C24 | H242 | 109.1° | 109.5° |
| C24 | C23 | C22 | 112.4° | 109.5° |
| C24 | C23 | H231 | 107.8° | 109.5° |
| C24 | C23 | H232 | 108.5° | 109.4° |
| H241 | C24 | H242 | 110.4° | 109.5° |
| C22 | C23 | H231 | 107.9° | 109.4° |
| C22 | C23 | H232 | 108.5° | 109.4° |
| C23 | C22 | C21 | 111.8° | 109.5° |
| C23 | C22 | H221 | 108.2° | 109.5° |
| C23 | C22 | H222 | 108.7° | 109.4° |
| H231 | C23 | H232 | 111.8° | 109.5° |
| C21 | C22 | H221 | 108.2° | 109.5° |
| C21 | C22 | H222 | 108.7° | 109.5° |
| C22 | C21 | C20 | 110.4° | 109.4° |
| C22 | C21 | H211 | 108.9° | 109.4° |
| C22 | C21 | H212 | 109.2° | 109.4° |
| H221 | C22 | H222 | 111.3° | 109.5° |
| C20 | C21 | H211 | 109.0° | 109.5° |
| C20 | C21 | H212 | 109.1° | 109.5° |
| C21 | C20 | C19 | 111.5° | 109.4° |
| C21 | C20 | H201 | 108.4° | 109.5° |
| C21 | C20 | H202 | 108.8° | 109.4° |
| H211 | C21 | H212 | 110.2° | 109.5° |
| C19 | C20 | H201 | 108.3° | 109.5° |
| C19 | C20 | H202 | 108.8° | 109.4° |
| C20 | C19 | C18 | 109.3° | 109.5° |
| C20 | C19 | H191 | 109.5° | 109.5° |
| C20 | C19 | H192 | 109.5° | 109.5° |
| H201 | C20 | H202 | 111.1° | 109.5° |
| C18 | C19 | H191 | 109.6° | 109.4° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C19 | C18 | C17 | 111.6° | 109.5° |
| C19 | C18 | H181 | 108.3° | 109.5° |
| C19 | C18 | H182 | 108.8° | 109.5° |
| H191 | C19 | H192 | 109.3° | 109.5° |
| C17 | C18 | H181 | 108.3° | 109.4° |
| C17 | C18 | H182 | 108.8° | 109.5° |
| C18 | C17 | C16 | 109.5° | 109.5° |
| C18 | C17 | H171 | 109.5° | 109.4° |
| C18 | C17 | H172 | 109.5° | 109.5° |
| H181 | C18 | H182 | 111.1° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| C17 | C16 | C15 | 111.5° | 109.5° |
| C17 | C16 | H161 | 108.4° | 109.5° |
| C17 | C16 | H162 | 108.8° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| C15 | C16 | H161 | 108.3° | 109.5° |
| C15 | C16 | H162 | 108.8° | 109.5° |
| C16 | C15 | C14 | 111.0° | 109.5° |
| C16 | C15 | H151 | 108.6° | 109.5° |
| C16 | C15 | H152 | 109.0° | 109.5° |
| H161 | C16 | H162 | 111.1° | 109.4° |
| C14 | C15 | H151 | 108.6° | 109.4° |
| C14 | C15 | H152 | 108.9° | 109.4° |
| C15 | C14 | C13 | 111.7° | 109.5° |
| C15 | C14 | H141 | 108.2° | 109.4° |
| C15 | C14 | H142 | 108.7° | 109.4° |
| H151 | C15 | H152 | 110.7° | 109.5° |
| C13 | C14 | H141 | 108.2° | 109.5° |
| C13 | C14 | H142 | 108.7° | 109.5° |
| C14 | C13 | C12 | 112.4° | 109.5° |
| C14 | C13 | H131 | 107.9° | 109.5° |
| C14 | C13 | H132 | 108.5° | 109.5° |
| H141 | C14 | H142 | 111.3° | 109.5° |
| C12 | C13 | H131 | 107.9° | 109.5° |
| C12 | C13 | H132 | 108.5° | 109.4° |
| C13 | C12 | C11 | 111.2° | 109.5° |
| C13 | C12 | H121 | 108.5° | 109.5° |
| C13 | C12 | H122 | 108.9° | 109.4° |
| H131 | C13 | H132 | 111.7° | 109.5° |
| C11 | C12 | H121 | 108.5° | 109.5° |
| C11 | C12 | H122 | 108.9° | 109.5° |
| C12 | C11 | O11 | 120.7° | 120.0° |
| C12 | C11 | O3 | 119.9° | 120.0° |
| H121 | C12 | H122 | 110.8° | 109.5° |
| O11 | C11 | O3 | 119.4° | 120.0° |
| C11 | O3 | C3 | 111.1° | 120.0° |
| O3 | C3 | C2 | 112.5° | 109.5° |
| O3 | C3 | H31 | 107.8° | 109.5° |
| O3 | C3 | H32 | 108.5° | 109.5° |
| C2 | C3 | H31 | 107.8° | 109.4° |
| C2 | C3 | H32 | 108.5° | 109.5° |
| C3 | C2 | C1 | 113.9° | 109.5° |
| C3 | C2 | O2 | 108.1° | 109.5° |
| C3 | C2 | H2 | 109.4° | 109.5° |
| H31 | C3 | H32 | 111.9° | 109.5° |
| C1 | C2 | O2 | 114.8° | 109.5° |
| C1 | C2 | H2 | 101.9° | 109.5° |
| C2 | C1 | O3P | 112.5° | 109.5° |
| C2 | C1 | H11 | 107.8° | 109.5° |
| C2 | C1 | H12 | 108.5° | 109.5° |
| O2 | C2 | H2 | 108.4° | 109.5° |
| C2 | O2 | C31 | 118.6° | 120.0° |
| O3P | C1 | H11 | 107.8° | 109.5° |
| O3P | C1 | H12 | 108.5° | 109.4° |
| C1 | O3P | P | 121.5° | 106.8° |
| H11 | C1 | H12 | 111.8° | 109.4° |
| O3P | P | O1P | 106.9° | 109.5° |
| O3P | P | O2P | 108.6° | 109.4° |
| O3P | P | O4P | 103.7° | 109.4° |
| O1P | P | O2P | 119.9° | 109.5° |
| O1P | P | O4P | 109.4° | 109.5° |
| O2P | P | O4P | 107.2° | 109.5° |
| P | O2P | H2P | 109.5° | 106.8° |
| P | O4P | C4 | 123.1° | 106.8° |
| O4P | C4 | C5 | 110.6° | 109.5° |
| O4P | C4 | H41 | 108.8° | 109.5° |
| O4P | C4 | H42 | 109.1° | 109.5° |
| C5 | C4 | H41 | 108.9° | 109.4° |
| C5 | C4 | H42 | 109.1° | 109.5° |
| C4 | C5 | N | 114.2° | 109.4° |
| C4 | C5 | H51 | 106.8° | 109.5° |
| C4 | C5 | H52 | 107.9° | 109.5° |
| H41 | C4 | H42 | 110.4° | 109.4° |
| N | C5 | H51 | 106.9° | 109.4° |
| N | C5 | H52 | 107.9° | 109.5° |
| C5 | N | C7 | 108.7° | 109.5° |
| C5 | N | C8 | 113.1° | 109.5° |
| C5 | N | C6 | 112.1° | 109.5° |
| H51 | C5 | H52 | 113.2° | 109.5° |
| C7 | N | C8 | 107.1° | 109.5° |
| C7 | N | C6 | 106.9° | 109.5° |
| N | C7 | H71 | 109.5° | 109.5° |
| N | C7 | H72 | 109.5° | 109.4° |
| N | C7 | H73 | 109.5° | 109.4° |
| C8 | N | C6 | 108.6° | 109.5° |
| N | C8 | H81 | 109.4° | 109.5° |
| N | C8 | H82 | 109.5° | 109.5° |
| N | C8 | H83 | 109.5° | 109.4° |
| N | C6 | H61 | 109.5° | 109.5° |
| N | C6 | H62 | 109.5° | 109.5° |
| N | C6 | H63 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.4° | 109.5° |
| H71 | C7 | H73 | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.4° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.4° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.4° | 109.4° |
| H62 | C6 | H63 | 109.5° | 109.4° |
| O2 | C31 | O31 | 120.3° | 120.0° |
| O2 | C31 | C32 | 118.9° | 120.0° |
| O31 | C31 | C32 | 120.8° | 120.0° |
| C31 | C32 | C33 | 112.5° | 109.5° |
| C31 | C32 | H321 | 107.8° | 109.5° |
| C31 | C32 | H322 | 108.5° | 109.5° |
| C33 | C32 | H321 | 107.8° | 109.5° |
| C33 | C32 | H322 | 108.5° | 109.5° |
| C32 | C33 | C34 | 111.2° | 109.5° |
| C32 | C33 | H331 | 108.5° | 109.4° |
| C32 | C33 | H332 | 108.9° | 109.5° |
| H321 | C32 | H322 | 111.8° | 109.4° |
| C34 | C33 | H331 | 108.5° | 109.4° |
| C34 | C33 | H332 | 108.9° | 109.5° |
| C33 | C34 | C35 | 111.9° | 109.5° |
| C33 | C34 | H341 | 108.1° | 109.4° |
| C33 | C34 | H342 | 108.7° | 109.5° |
| H331 | C33 | H332 | 110.9° | 109.5° |
| C35 | C34 | H341 | 108.1° | 109.5° |
| C35 | C34 | H342 | 108.7° | 109.5° |
| C34 | C35 | C36 | 111.3° | 109.5° |
| C34 | C35 | H351 | 108.4° | 109.5° |
| C34 | C35 | H352 | 108.9° | 109.5° |
| H341 | C34 | H342 | 111.4° | 109.5° |
| C36 | C35 | H351 | 108.5° | 109.5° |
| C36 | C35 | H352 | 108.9° | 109.5° |
| C35 | C36 | C37 | 110.1° | 109.5° |
| C35 | C36 | H361 | 109.1° | 109.5° |
| C35 | C36 | H362 | 109.3° | 109.5° |
| H351 | C35 | H352 | 110.9° | 109.4° |
| C37 | C36 | H361 | 109.1° | 109.5° |
| C37 | C36 | H362 | 109.2° | 109.5° |
| C36 | C37 | C38 | 111.8° | 109.5° |
| C36 | C37 | H371 | 108.1° | 109.5° |
| C36 | C37 | H372 | 108.7° | 109.5° |
| H361 | C36 | H362 | 110.0° | 109.4° |
| C38 | C37 | H371 | 108.1° | 109.4° |
| C38 | C37 | H372 | 108.7° | 109.4° |
| C37 | C38 | C39 | 108.3° | 109.5° |
| C37 | C38 | H381 | 110.1° | 109.4° |
| C37 | C38 | H382 | 109.9° | 109.5° |
| H371 | C37 | H372 | 111.4° | 109.5° |
| C39 | C38 | H381 | 110.1° | 109.4° |
| C39 | C38 | H382 | 109.8° | 109.5° |
| C38 | C39 | C40 | 123.8° | 109.5° |
| C38 | C39 | H391 | 101.6° | 109.5° |
| C38 | C39 | H392 | 104.9° | 109.5° |
| H381 | C38 | H382 | 108.6° | 109.5° |
| C40 | C39 | H391 | 101.6° | 109.5° |
| C40 | C39 | H392 | 104.9° | 109.5° |
| C39 | C40 | C41 | 123.6° | 109.5° |
| C39 | C40 | H401 | 101.7° | 109.5° |
| C39 | C40 | H402 | 105.0° | 109.5° |
| H391 | C39 | H392 | 121.6° | 109.4° |
| C41 | C40 | H401 | 101.7° | 109.4° |
| C41 | C40 | H402 | 105.0° | 109.5° |
| C40 | C41 | C42 | 108.4° | 109.5° |
| C40 | C41 | H411 | 110.1° | 109.5° |
| C40 | C41 | H412 | 109.8° | 109.5° |
| H401 | C40 | H402 | 121.3° | 109.5° |
| C42 | C41 | H411 | 110.0° | 109.4° |
| C42 | C41 | H412 | 109.8° | 109.4° |
| C41 | C42 | C43 | 117.7° | 109.5° |
| C41 | C42 | H421 | 104.9° | 109.4° |
| C41 | C42 | H422 | 106.8° | 109.4° |
| H411 | C41 | H412 | 108.7° | 109.5° |
| C43 | C42 | H421 | 105.0° | 109.4° |
| C43 | C42 | H422 | 106.8° | 109.5° |
| C42 | C43 | C44 | 119.6° | 109.5° |
| C42 | C43 | H431 | 103.8° | 109.5° |
| C42 | C43 | H432 | 106.2° | 109.5° |
| H421 | C42 | H422 | 116.1° | 109.5° |
| C44 | C43 | H431 | 103.9° | 109.5° |
| C44 | C43 | H432 | 106.2° | 109.5° |
| C43 | C44 | C45 | 113.6° | 109.5° |
| C43 | C44 | H441 | 107.2° | 109.5° |
| C43 | C44 | H442 | 108.1° | 109.5° |
| H431 | C43 | H432 | 117.8° | 109.4° |
| C45 | C44 | H441 | 107.2° | 109.4° |
| C45 | C44 | H442 | 108.1° | 109.5° |
| C44 | C45 | C46 | 112.2° | 109.5° |
| C44 | C45 | H451 | 108.0° | 109.5° |
| C44 | C45 | H452 | 108.5° | 109.5° |
| H441 | C44 | H442 | 112.7° | 109.5° |
| C46 | C45 | H451 | 108.0° | 109.5° |
| C46 | C45 | H452 | 108.6° | 109.5° |
| C45 | C46 | C47 | 109.9° | 109.4° |
| C45 | C46 | H461 | 109.2° | 109.5° |
| C45 | C46 | H462 | 109.3° | 109.4° |
| H451 | C45 | H452 | 111.7° | 109.5° |
| C47 | C46 | H461 | 109.2° | 109.5° |
| C47 | C46 | H462 | 109.3° | 109.4° |
| C46 | C47 | C48 | 109.8° | 109.5° |
| C46 | C47 | H471 | 109.3° | 109.5° |
| C46 | C47 | H472 | 109.4° | 109.4° |
| H461 | C46 | H462 | 109.9° | 109.6° |
| C48 | C47 | H471 | 109.3° | 109.5° |
| C48 | C47 | H472 | 109.3° | 109.5° |
| C47 | C48 | H481 | 109.4° | 109.5° |
| C47 | C48 | H482 | 109.5° | 109.5° |
| C47 | C48 | H483 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.7° | 109.4° |
| H481 | C48 | H482 | 109.5° | 109.4° |
| H481 | C48 | H483 | 109.5° | 109.5° |
| H482 | C48 | H483 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | C25 | C24 | H251 | 119.1° | 120.1° |
| C26 | C25 | C24 | H252 | 120.0° | 120.0° |
| C26 | C25 | H251 | H252 | 119.4° | 120.0° |
| C26 | C25 | C24 | C23 | 165.3° | 180.0° |
| C26 | C25 | C24 | H241 | 75.2° | 60.0° |
| C26 | C25 | C24 | H242 | 45.4° | 60.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H261 | C26 | C25 | C24 | 80.6° | 60.0° |
| H261 | C26 | C25 | H251 | 160.3° | 60.1° |
| H261 | C26 | C25 | H252 | 39.4° | 180.0° |
| H262 | C26 | C25 | C24 | 159.4° | 180.0° |
| H262 | C26 | C25 | H251 | 40.3° | 60.0° |
| H262 | C26 | C25 | H252 | 80.6° | 60.0° |
| H263 | C26 | C25 | C24 | 39.4° | 59.9° |
| H263 | C26 | C25 | H251 | 79.7° | 180.0° |
| H263 | C26 | C25 | H252 | 159.4° | 60.0° |
| C24 | C25 | H251 | H252 | 119.4° | 120.0° |
| C25 | C24 | C23 | H241 | 119.5° | 120.1° |
| C25 | C24 | C23 | H242 | 120.0° | 120.0° |
| C25 | C24 | H241 | H242 | 119.7° | 120.0° |
| C25 | C24 | C23 | C22 | 170.9° | 180.0° |
| C25 | C24 | C23 | H231 | 70.3° | 60.0° |
| C25 | C24 | C23 | H232 | 50.9° | 60.1° |
| H251 | C25 | C24 | C23 | 46.3° | 59.9° |
| H251 | C25 | C24 | H241 | 165.8° | 180.0° |
| H251 | C25 | C24 | H242 | 73.7° | 60.0° |
| H252 | C25 | C24 | C23 | 74.6° | 60.0° |
| H252 | C25 | C24 | H241 | 44.9° | 60.0° |
| H252 | C25 | C24 | H242 | 165.4° | 180.0° |
| C23 | C24 | H241 | H242 | 119.6° | 120.0° |
| C24 | C23 | C22 | H231 | 118.8° | 120.0° |
| C24 | C23 | C22 | H232 | 120.0° | 119.9° |
| C24 | C23 | H231 | H232 | 119.2° | 120.0° |
| C24 | C23 | C22 | C21 | 106.1° | NaN° |
| C24 | C23 | C22 | H221 | 134.9° | 60.0° |
| C24 | C23 | C22 | H222 | 13.9° | 60.0° |
| H241 | C24 | C23 | C22 | 51.4° | 60.0° |
| H241 | C24 | C23 | H231 | 170.1° | 180.0° |
| H241 | C24 | C23 | H232 | 68.6° | 60.0° |
| H242 | C24 | C23 | C22 | 69.1° | 60.0° |
| H242 | C24 | C23 | H231 | 49.7° | 60.0° |
| H242 | C24 | C23 | H232 | 170.9° | 180.0° |
| C22 | C23 | H231 | H232 | 119.2° | 120.0° |
| C23 | C22 | C21 | H221 | 119.0° | 120.0° |
| C23 | C22 | C21 | H222 | 120.0° | 120.0° |
| C23 | C22 | H221 | H222 | 119.4° | 120.0° |
| C23 | C22 | C21 | C20 | 127.0° | 180.0° |
| C23 | C22 | C21 | H211 | 7.3° | 60.0° |
| C23 | C22 | C21 | H212 | 113.1° | 60.0° |
| H231 | C23 | C22 | C21 | 12.7° | 60.0° |
| H231 | C23 | C22 | H221 | 106.3° | 180.0° |
| H231 | C23 | C22 | H222 | 132.7° | 60.0° |
| H232 | C23 | C22 | C21 | 133.9° | 60.1° |
| H232 | C23 | C22 | H221 | 14.9° | 60.0° |
| H232 | C23 | C22 | H222 | 106.1° | 180.0° |
| C21 | C22 | H221 | H222 | 119.4° | 120.0° |
| C22 | C21 | C20 | H211 | 119.6° | 120.0° |
| C22 | C21 | C20 | H212 | 120.0° | 119.9° |
| C22 | C21 | H211 | H212 | 119.8° | 120.0° |
| C22 | C21 | C20 | C19 | 85.9° | 180.0° |
| C22 | C21 | C20 | H201 | 33.2° | 60.0° |
| C22 | C21 | C20 | H202 | 154.1° | 60.1° |
| H221 | C22 | C21 | C20 | 114.0° | 59.9° |
| H221 | C22 | C21 | H211 | 126.4° | 180.0° |
| H221 | C22 | C21 | H212 | 5.9° | 60.0° |
| H222 | C22 | C21 | C20 | 6.9° | 60.0° |
| H222 | C22 | C21 | H211 | 112.7° | 60.0° |
| H222 | C22 | C21 | H212 | 126.9° | 180.0° |
| C20 | C21 | H211 | H212 | 119.7° | 120.1° |
| C21 | C20 | C19 | H201 | 119.2° | 120.1° |
| C21 | C20 | C19 | H202 | 120.0° | 119.9° |
| C21 | C20 | H201 | H202 | 119.5° | 120.0° |
| C21 | C20 | C19 | C18 | 146.5° | 179.9° |
| C21 | C20 | C19 | H191 | 93.4° | 60.0° |
| C21 | C20 | C19 | H192 | 26.5° | 60.0° |
| H211 | C21 | C20 | C19 | 154.5° | 60.0° |
| H211 | C21 | C20 | H201 | 86.3° | 180.0° |
| H211 | C21 | C20 | H202 | 34.5° | 59.9° |
| H212 | C21 | C20 | C19 | 34.1° | 60.1° |
| H212 | C21 | C20 | H201 | 153.2° | 59.9° |
| H212 | C21 | C20 | H202 | 85.9° | 180.0° |
| C19 | C20 | H201 | H202 | 119.4° | 120.0° |
| C20 | C19 | C18 | H191 | 120.1° | 120.0° |
| C20 | C19 | C18 | H192 | 120.0° | 120.0° |
| C20 | C19 | H191 | H192 | 120.0° | 120.0° |
| C20 | C19 | C18 | C17 | 160.8° | 180.0° |
| C20 | C19 | C18 | H181 | 41.7° | 60.0° |
| C20 | C19 | C18 | H182 | 79.2° | 60.0° |
| H201 | C20 | C19 | C18 | 27.3° | 60.0° |
| H201 | C20 | C19 | H191 | 147.4° | 180.0° |
| H201 | C20 | C19 | H192 | 92.7° | 60.0° |
| H202 | C20 | C19 | C18 | 93.5° | 60.0° |
| H202 | C20 | C19 | H191 | 26.6° | 59.9° |
| H202 | C20 | C19 | H192 | 146.5° | 179.9° |
| C18 | C19 | H191 | H192 | 120.1° | 120.0° |
| C19 | C18 | C17 | H181 | 119.1° | 120.0° |
| C19 | C18 | C17 | H182 | 120.0° | 120.0° |
| C19 | C18 | H181 | H182 | 119.4° | 120.0° |
| C19 | C18 | C17 | C16 | 168.7° | 180.0° |
| C19 | C18 | C17 | H171 | 71.3° | 60.0° |
| C19 | C18 | C17 | H172 | 48.7° | 59.9° |
| H191 | C19 | C18 | C17 | 79.1° | 60.0° |
| H191 | C19 | C18 | H181 | 161.8° | 180.0° |
| H191 | C19 | C18 | H182 | 40.9° | 60.0° |
| H192 | C19 | C18 | C17 | 40.8° | 60.0° |
| H192 | C19 | C18 | H181 | 78.3° | 60.0° |
| H192 | C19 | C18 | H182 | 160.8° | 180.0° |
| C17 | C18 | H181 | H182 | 119.4° | 120.0° |
| C18 | C17 | C16 | H171 | 120.0° | 120.0° |
| C18 | C17 | C16 | H172 | 120.0° | 120.0° |
| C18 | C17 | H171 | H172 | 120.0° | 120.0° |
| C18 | C17 | C16 | C15 | 123.2° | 180.0° |
| C18 | C17 | C16 | H161 | 117.7° | 60.0° |
| C18 | C17 | C16 | H162 | 3.2° | 60.0° |
| H181 | C18 | C17 | C16 | 49.6° | 60.0° |
| H181 | C18 | C17 | H171 | 169.6° | NaN° |
| H181 | C18 | C17 | H172 | 70.4° | 60.1° |
| H182 | C18 | C17 | C16 | 71.3° | 60.0° |
| H182 | C18 | C17 | H171 | 48.7° | 60.0° |
| H182 | C18 | C17 | H172 | 168.7° | 180.0° |
| C16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C17 | C16 | C15 | H161 | 119.1° | 120.0° |
| C17 | C16 | C15 | H162 | 120.0° | 120.0° |
| C17 | C16 | H161 | H162 | 119.4° | 120.0° |
| C17 | C16 | C15 | C14 | 136.8° | 180.0° |
| C17 | C16 | C15 | H151 | 103.9° | 60.0° |
| C17 | C16 | C15 | H152 | 16.8° | 60.0° |
| H171 | C17 | C16 | C15 | 3.2° | 60.0° |
| H171 | C17 | C16 | H161 | 122.3° | 180.0° |
| H171 | C17 | C16 | H162 | 116.8° | 60.0° |
| H172 | C17 | C16 | C15 | 116.8° | 60.0° |
| H172 | C17 | C16 | H161 | 2.3° | 60.0° |
| H172 | C17 | C16 | H162 | 123.2° | 180.0° |
| C15 | C16 | H161 | H162 | 119.5° | 120.0° |
| C16 | C15 | C14 | H151 | 119.4° | 120.1° |
| C16 | C15 | C14 | H152 | 120.0° | 120.0° |
| C16 | C15 | H151 | H152 | 119.6° | 120.0° |
| C16 | C15 | C14 | C13 | 123.8° | 180.0° |
| C16 | C15 | C14 | H141 | 117.2° | 60.0° |
| C16 | C15 | C14 | H142 | 3.8° | 60.0° |
| H161 | C16 | C15 | C14 | 17.6° | 60.0° |
| H161 | C16 | C15 | H151 | 137.0° | 180.0° |
| H161 | C16 | C15 | H152 | 102.4° | 60.0° |
| H162 | C16 | C15 | C14 | 103.2° | 60.0° |
| H162 | C16 | C15 | H151 | 16.1° | 60.0° |
| H162 | C16 | C15 | H152 | 136.8° | 180.0° |
| C14 | C15 | H151 | H152 | 119.5° | 119.9° |
| C15 | C14 | C13 | H141 | 119.1° | 120.0° |
| C15 | C14 | C13 | H142 | 120.0° | 120.0° |
| C15 | C14 | H141 | H142 | 119.4° | 120.0° |
| C15 | C14 | C13 | C12 | 72.3° | 180.0° |
| C15 | C14 | C13 | H131 | 46.5° | 60.0° |
| C15 | C14 | C13 | H132 | 167.7° | 60.0° |
| H151 | C15 | C14 | C13 | 4.4° | 59.9° |
| H151 | C15 | C14 | H141 | 123.4° | 180.0° |
| H151 | C15 | C14 | H142 | 115.6° | 60.1° |
| H152 | C15 | C14 | C13 | 116.2° | 60.0° |
| H152 | C15 | C14 | H141 | 2.8° | 60.0° |
| H152 | C15 | C14 | H142 | 123.8° | 180.0° |
| C13 | C14 | H141 | H142 | 119.4° | 120.0° |
| C14 | C13 | C12 | H131 | 118.8° | 120.0° |
| C14 | C13 | C12 | H132 | 120.0° | 120.0° |
| C14 | C13 | H131 | H132 | 119.2° | 120.0° |
| C14 | C13 | C12 | C11 | 159.2° | 180.0° |
| C14 | C13 | C12 | H121 | 40.0° | 60.0° |
| C14 | C13 | C12 | H122 | 80.8° | 60.0° |
| H141 | C14 | C13 | C12 | 168.6° | 60.0° |
| H141 | C14 | C13 | H131 | 72.6° | 180.0° |
| H141 | C14 | C13 | H132 | 48.6° | 60.0° |
| H142 | C14 | C13 | C12 | 47.7° | 60.0° |
| H142 | C14 | C13 | H131 | 166.4° | 60.0° |
| H142 | C14 | C13 | H132 | 72.4° | 180.0° |
| C12 | C13 | H131 | H132 | 119.2° | 120.0° |
| C13 | C12 | C11 | H121 | 119.3° | 120.1° |
| C13 | C12 | C11 | H122 | 120.0° | 120.0° |
| C13 | C12 | H121 | H122 | 119.5° | 120.0° |
| C13 | C12 | C11 | O11 | 38.7° | 0.1° |
| C13 | C12 | C11 | O3 | 141.4° | 180.0° |
| H131 | C13 | C12 | C11 | 82.0° | 60.0° |
| H131 | C13 | C12 | H121 | 158.8° | 180.0° |
| H131 | C13 | C12 | H122 | 38.0° | 60.0° |
| H132 | C13 | C12 | C11 | 39.3° | 60.0° |
| H132 | C13 | C12 | H121 | 80.0° | 60.0° |
| H132 | C13 | C12 | H122 | 159.3° | NaN° |
| C11 | C12 | H121 | H122 | 119.5° | 120.0° |
| C12 | C11 | O11 | O3 | 180.0° | 179.9° |
| C12 | C11 | O3 | C3 | 76.2° | 180.0° |
| H121 | C12 | C11 | O11 | 80.6° | 120.0° |
| H121 | C12 | C11 | O3 | 99.4° | 59.9° |
| H122 | C12 | C11 | O11 | 158.7° | 120.0° |
| H122 | C12 | C11 | O3 | 21.4° | 60.0° |
| O11 | C11 | O3 | C3 | 103.8° | 0.0° |
| C11 | O3 | C3 | C2 | 144.2° | 180.0° |
| C11 | O3 | C3 | H31 | 97.1° | 60.0° |
| C11 | O3 | C3 | H32 | 24.2° | 60.0° |
| O3 | C3 | C2 | H31 | 118.7° | 120.0° |
| O3 | C3 | C2 | H32 | 120.0° | 120.0° |
| O3 | C3 | H31 | H32 | 119.1° | 120.0° |
| O3 | C3 | C2 | C1 | 179.5° | 55.0° |
| O3 | C3 | C2 | O2 | 50.6° | 65.0° |
| O3 | C3 | C2 | H2 | 67.3° | 175.0° |
| C2 | C3 | H31 | H32 | 119.2° | 120.0° |
| C3 | C2 | C1 | O2 | 125.4° | 120.1° |
| C3 | C2 | C1 | H2 | 117.6° | 120.0° |
| C3 | C2 | O2 | H2 | 118.5° | 120.0° |
| C3 | C2 | C1 | O3P | 4.6° | 55.0° |
| C3 | C2 | C1 | H11 | 123.3° | 65.0° |
| C3 | C2 | C1 | H12 | 115.4° | 175.0° |
| C3 | C2 | O2 | C31 | 103.7° | 150.0° |
| H31 | C3 | C2 | C1 | 61.8° | 175.0° |
| H31 | C3 | C2 | O2 | 169.3° | 55.0° |
| H31 | C3 | C2 | H2 | 51.4° | 65.0° |
| H32 | C3 | C2 | C1 | 59.5° | 65.0° |
| H32 | C3 | C2 | O2 | 69.4° | 175.0° |
| H32 | C3 | C2 | H2 | 172.7° | 55.0° |
| C1 | C2 | O2 | H2 | 113.1° | 120.0° |
| C2 | C1 | O3P | H11 | 118.7° | 120.1° |
| C2 | C1 | O3P | H12 | 120.0° | 120.1° |
| C2 | C1 | H11 | H12 | 119.1° | 120.1° |
| C2 | C1 | O3P | P | 122.4° | 180.0° |
| C1 | C2 | O2 | C31 | 24.7° | 90.0° |
| O2 | C2 | C1 | O3P | 120.8° | 65.0° |
| O2 | C2 | C1 | H11 | 2.1° | 175.0° |
| O2 | C2 | C1 | H12 | 119.2° | 55.0° |
| C2 | O2 | C31 | O31 | 64.1° | 0.1° |
| C2 | O2 | C31 | C32 | 117.4° | 180.0° |
| H2 | C2 | C1 | O3P | 122.3° | 175.0° |
| H2 | C2 | C1 | H11 | 119.0° | 55.0° |
| H2 | C2 | C1 | H12 | 2.3° | 65.0° |
| H2 | C2 | O2 | C31 | 137.8° | 30.0° |
| O3P | C1 | H11 | H12 | 119.2° | 119.9° |
| C1 | O3P | P | O1P | 60.1° | 55.0° |
| C1 | O3P | P | O2P | 169.3° | 65.0° |
| C1 | O3P | P | O4P | 55.5° | 175.0° |
| H11 | C1 | O3P | P | 118.9° | 59.9° |
| H12 | C1 | O3P | P | 2.3° | 60.0° |
| O3P | P | O1P | O2P | 123.9° | 120.0° |
| O3P | P | O1P | O4P | 111.7° | 120.0° |
| O3P | P | O2P | O4P | 111.4° | 120.0° |
| O3P | P | O2P | H2P | 168.5° | 60.0° |
| O3P | P | O4P | C4 | 136.9° | 175.0° |
| O1P | P | O2P | O4P | 125.4° | 120.1° |
| O1P | P | O2P | H2P | 45.4° | 180.0° |
| O1P | P | O4P | C4 | 23.2° | 55.0° |
| O2P | P | O4P | C4 | 108.3° | 65.0° |
| O4P | P | O2P | H2P | 80.1° | 59.9° |
| P | O4P | C4 | C5 | 164.7° | 180.0° |
| P | O4P | C4 | H41 | 75.8° | 60.0° |
| P | O4P | C4 | H42 | 44.6° | 60.0° |
| O4P | C4 | C5 | H41 | 119.5° | 120.0° |
| O4P | C4 | C5 | H42 | 120.0° | 120.1° |
| O4P | C4 | H41 | H42 | 119.7° | 120.0° |
| O4P | C4 | C5 | N | 101.4° | 66.6° |
| O4P | C4 | C5 | H51 | 16.5° | 173.5° |
| O4P | C4 | C5 | H52 | 138.6° | 53.5° |
| C5 | C4 | H41 | H42 | 119.7° | 119.9° |
| C4 | C5 | N | H51 | 117.9° | 120.0° |
| C4 | C5 | N | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 118.7° | 120.0° |
| C4 | C5 | N | C7 | 173.8° | 54.5° |
| C4 | C5 | N | C8 | 55.0° | 174.5° |
| C4 | C5 | N | C6 | 68.2° | 65.6° |
| H41 | C4 | C5 | N | 139.1° | 53.5° |
| H41 | C4 | C5 | H51 | 103.0° | 66.5° |
| H41 | C4 | C5 | H52 | 19.1° | 173.5° |
| H42 | C4 | C5 | N | 18.6° | 173.4° |
| H42 | C4 | C5 | H51 | 136.5° | 53.4° |
| H42 | C4 | C5 | H52 | 101.4° | 66.6° |
| N | C5 | H51 | H52 | 118.7° | 120.0° |
| C5 | N | C7 | C8 | 122.6° | 120.0° |
| C5 | N | C7 | C6 | 121.2° | 120.0° |
| C5 | N | C8 | C6 | 125.1° | 120.0° |
| C5 | N | C7 | H71 | 24.5° | 60.0° |
| C5 | N | C7 | H72 | 144.5° | 180.0° |
| C5 | N | C7 | H73 | 95.5° | 60.1° |
| C5 | N | C8 | H81 | 76.3° | 60.0° |
| C5 | N | C8 | H82 | 163.7° | 180.0° |
| C5 | N | C8 | H83 | 43.7° | 60.0° |
| C5 | N | C6 | H61 | 7.9° | 71.0° |
| C5 | N | C6 | H62 | 128.0° | 169.0° |
| C5 | N | C6 | H63 | 112.0° | 49.0° |
| H51 | C5 | N | C7 | 68.3° | 65.5° |
| H51 | C5 | N | C8 | 172.9° | 54.5° |
| H51 | C5 | N | C6 | 49.7° | 174.5° |
| H52 | C5 | N | C7 | 53.8° | 174.5° |
| H52 | C5 | N | C8 | 65.0° | 65.5° |
| H52 | C5 | N | C6 | 171.8° | 54.4° |
| C7 | N | C8 | C6 | 115.1° | 120.0° |
| N | C7 | H71 | H72 | 120.0° | 120.0° |
| N | C7 | H71 | H73 | 120.0° | 120.0° |
| N | C7 | H72 | H73 | 120.0° | 119.9° |
| C7 | N | C8 | H81 | 164.0° | 180.0° |
| C7 | N | C8 | H82 | 43.9° | 60.0° |
| C7 | N | C8 | H83 | 76.1° | 60.0° |
| C7 | N | C6 | H61 | 111.2° | 49.1° |
| C7 | N | C6 | H62 | 8.9° | 71.0° |
| C7 | N | C6 | H63 | 128.9° | 169.1° |
| C8 | N | C7 | H71 | 98.0° | 60.0° |
| C8 | N | C7 | H72 | 21.9° | 60.0° |
| C8 | N | C7 | H73 | 142.0° | 179.9° |
| N | C8 | H81 | H82 | 120.0° | 120.0° |
| N | C8 | H81 | H83 | 120.0° | 120.0° |
| N | C8 | H82 | H83 | 120.0° | 119.9° |
| C8 | N | C6 | H61 | 133.6° | 169.1° |
| C8 | N | C6 | H62 | 106.3° | 49.0° |
| C8 | N | C6 | H63 | 13.7° | 71.0° |
| C6 | N | C7 | H71 | 145.7° | 180.0° |
| C6 | N | C7 | H72 | 94.3° | 59.9° |
| C6 | N | C7 | H73 | 25.7° | 60.0° |
| C6 | N | C8 | H81 | 48.8° | 60.0° |
| C6 | N | C8 | H82 | 71.2° | 60.0° |
| C6 | N | C8 | H83 | 168.8° | 180.0° |
| N | C6 | H61 | H62 | 120.0° | 120.1° |
| N | C6 | H61 | H63 | 120.0° | 120.0° |
| N | C6 | H62 | H63 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.1° |
| H81 | C8 | H82 | H83 | 120.0° | 120.1° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| O2 | C31 | O31 | C32 | 178.5° | 179.9° |
| O2 | C31 | C32 | C33 | 152.6° | 180.0° |
| O2 | C31 | C32 | H321 | 33.9° | 60.0° |
| O2 | C31 | C32 | H322 | 87.3° | 60.0° |
| O31 | C31 | C32 | C33 | 25.9° | 0.1° |
| O31 | C31 | C32 | H321 | 144.6° | 120.1° |
| O31 | C31 | C32 | H322 | 94.2° | 119.9° |
| C31 | C32 | C33 | H321 | 118.7° | 120.0° |
| C31 | C32 | C33 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 119.1° | 120.0° |
| C31 | C32 | C33 | C34 | 107.9° | 180.0° |
| C31 | C32 | C33 | H331 | 132.9° | 60.1° |
| C31 | C32 | C33 | H332 | 12.1° | 60.0° |
| C33 | C32 | H321 | H322 | 119.2° | 120.0° |
| C32 | C33 | C34 | H331 | 119.2° | 119.9° |
| C32 | C33 | C34 | H332 | 120.0° | 120.0° |
| C32 | C33 | H331 | H332 | 119.5° | 120.0° |
| C32 | C33 | C34 | C35 | 170.3° | 180.0° |
| C32 | C33 | C34 | H341 | 51.3° | 60.0° |
| C32 | C33 | C34 | H342 | 69.8° | 59.9° |
| H321 | C32 | C33 | C34 | 10.8° | 60.0° |
| H321 | C32 | C33 | H331 | 108.4° | 179.9° |
| H321 | C32 | C33 | H332 | 130.8° | 60.0° |
| H322 | C32 | C33 | C34 | 132.1° | 59.9° |
| H322 | C32 | C33 | H331 | 12.9° | 60.0° |
| H322 | C32 | C33 | H332 | 107.9° | 180.0° |
| C34 | C33 | H331 | H332 | 119.5° | 120.0° |
| C33 | C34 | C35 | H341 | 119.0° | 119.9° |
| C33 | C34 | C35 | H342 | 120.0° | 120.0° |
| C33 | C34 | H341 | H342 | 119.4° | 120.0° |
| C33 | C34 | C35 | C36 | 130.3° | 180.0° |
| C33 | C34 | C35 | H351 | 11.0° | 60.0° |
| C33 | C34 | C35 | H352 | 109.7° | 60.0° |
| H331 | C33 | C34 | C35 | 70.5° | 60.1° |
| H331 | C33 | C34 | H341 | 170.5° | 180.0° |
| H331 | C33 | C34 | H342 | 49.5° | 60.0° |
| H332 | C33 | C34 | C35 | 50.2° | 60.0° |
| H332 | C33 | C34 | H341 | 68.7° | 60.0° |
| H332 | C33 | C34 | H342 | 170.2° | 179.9° |
| C35 | C34 | H341 | H342 | 119.3° | 120.0° |
| C34 | C35 | C36 | H351 | 119.2° | 120.0° |
| C34 | C35 | C36 | H352 | 120.0° | 120.0° |
| C34 | C35 | H351 | H352 | 119.5° | 120.0° |
| C34 | C35 | C36 | C37 | 74.8° | 180.0° |
| C34 | C35 | C36 | H361 | 165.5° | 60.0° |
| C34 | C35 | C36 | H362 | 45.2° | 60.0° |
| H341 | C34 | C35 | C36 | 110.7° | 60.0° |
| H341 | C34 | C35 | H351 | 130.0° | 179.9° |
| H341 | C34 | C35 | H352 | 9.2° | 60.0° |
| H342 | C34 | C35 | C36 | 10.3° | 60.0° |
| H342 | C34 | C35 | H351 | 109.0° | 60.0° |
| H342 | C34 | C35 | H352 | 130.3° | 180.0° |
| C36 | C35 | H351 | H352 | 119.5° | 120.0° |
| C35 | C36 | C37 | H361 | 119.7° | 120.0° |
| C35 | C36 | C37 | H362 | 120.0° | 120.0° |
| C35 | C36 | H361 | H362 | 119.8° | 120.0° |
| C35 | C36 | C37 | C38 | 170.1° | 180.0° |
| C35 | C36 | C37 | H371 | 51.1° | 60.0° |
| C35 | C36 | C37 | H372 | 69.9° | 60.0° |
| H351 | C35 | C36 | C37 | 44.5° | 60.0° |
| H351 | C35 | C36 | H361 | 75.2° | 180.0° |
| H351 | C35 | C36 | H362 | 164.5° | 60.0° |
| H352 | C35 | C36 | C37 | 165.3° | 60.0° |
| H352 | C35 | C36 | H361 | 45.6° | 60.0° |
| H352 | C35 | C36 | H362 | 74.7° | NaN° |
| C37 | C36 | H361 | H362 | 119.8° | 120.0° |
| C36 | C37 | C38 | H371 | 119.0° | 120.0° |
| C36 | C37 | C38 | H372 | 120.0° | 120.1° |
| C36 | C37 | H371 | H372 | 119.4° | 120.1° |
| C36 | C37 | C38 | C39 | 148.9° | 180.0° |
| C36 | C37 | C38 | H381 | 28.5° | 60.1° |
| C36 | C37 | C38 | H382 | 91.1° | 59.9° |
| H361 | C36 | C37 | C38 | 70.2° | 60.0° |
| H361 | C36 | C37 | H371 | 170.8° | 179.9° |
| H361 | C36 | C37 | H372 | 49.8° | 60.0° |
| H362 | C36 | C37 | C38 | 50.1° | 59.9° |
| H362 | C36 | C37 | H371 | 68.9° | 60.0° |
| H362 | C36 | C37 | H372 | 170.1° | 180.0° |
| C38 | C37 | H371 | H372 | 119.4° | 120.0° |
| C37 | C38 | C39 | H381 | 120.5° | 119.9° |
| C37 | C38 | C39 | H382 | 120.0° | 120.0° |
| C37 | C38 | H381 | H382 | 120.3° | 120.0° |
| C37 | C38 | C39 | C40 | 153.9° | 180.0° |
| C37 | C38 | C39 | H391 | 41.4° | 60.0° |
| C37 | C38 | C39 | H392 | 86.1° | 59.9° |
| H371 | C37 | C38 | C39 | 92.1° | 60.0° |
| H371 | C37 | C38 | H381 | 147.5° | 180.0° |
| H371 | C37 | C38 | H382 | 27.9° | 60.0° |
| H372 | C37 | C38 | C39 | 28.9° | 59.9° |
| H372 | C37 | C38 | H381 | 91.5° | 60.0° |
| H372 | C37 | C38 | H382 | 148.9° | 180.0° |
| C39 | C38 | H381 | H382 | 120.3° | 120.0° |
| C38 | C39 | C40 | H391 | 112.5° | 120.0° |
| C38 | C39 | C40 | H392 | 120.0° | 120.0° |
| C38 | C39 | H391 | H392 | 115.8° | 120.0° |
| C38 | C39 | C40 | C41 | 1.0° | 180.0° |
| C38 | C39 | C40 | H401 | 111.7° | 60.0° |
| C38 | C39 | C40 | H402 | 121.0° | 60.0° |
| H381 | C38 | C39 | C40 | 85.6° | 60.1° |
| H381 | C38 | C39 | H391 | 161.8° | 179.9° |
| H381 | C38 | C39 | H392 | 34.4° | 60.0° |
| H382 | C38 | C39 | C40 | 33.9° | 60.0° |
| H382 | C38 | C39 | H391 | 78.6° | 60.0° |
| H382 | C38 | C39 | H392 | 153.9° | 180.0° |
| C40 | C39 | H391 | H392 | 115.8° | 120.0° |
| C39 | C40 | C41 | H401 | 112.7° | 120.0° |
| C39 | C40 | C41 | H402 | 120.0° | 120.0° |
| C39 | C40 | H401 | H402 | 115.9° | 120.0° |
| C39 | C40 | C41 | C42 | 172.3° | 180.0° |
| C39 | C40 | C41 | H411 | 67.3° | 60.0° |
| C39 | C40 | C41 | H412 | 52.3° | 60.0° |
| H391 | C39 | C40 | C41 | 113.6° | 60.0° |
| H391 | C39 | C40 | H401 | 0.9° | 180.0° |
| H391 | C39 | C40 | H402 | 126.4° | 60.0° |
| H392 | C39 | C40 | C41 | 119.0° | 60.0° |
| H392 | C39 | C40 | H401 | 128.3° | 60.0° |
| H392 | C39 | C40 | H402 | 1.0° | 180.0° |
| C41 | C40 | H401 | H402 | 115.8° | 120.0° |
| C40 | C41 | C42 | H411 | 120.4° | 120.0° |
| C40 | C41 | C42 | H412 | 120.0° | 120.1° |
| C40 | C41 | H411 | H412 | 120.3° | 120.1° |
| C40 | C41 | C42 | C43 | 110.2° | 180.0° |
| C40 | C41 | C42 | H421 | 6.0° | 60.1° |
| C40 | C41 | C42 | H422 | 129.8° | 59.9° |
| H401 | C40 | C41 | C42 | 59.6° | 60.0° |
| H401 | C40 | C41 | H411 | 180.0° | 180.0° |
| H401 | C40 | C41 | H412 | 60.4° | 60.0° |
| H402 | C40 | C41 | C42 | 67.7° | 59.9° |
| H402 | C40 | C41 | H411 | 52.7° | 60.0° |
| H402 | C40 | C41 | H412 | 172.3° | 180.0° |
| C42 | C41 | H411 | H412 | 120.3° | 120.0° |
| C41 | C42 | C43 | H421 | 116.2° | 119.9° |
| C41 | C42 | C43 | H422 | 120.0° | 120.0° |
| C41 | C42 | H421 | H422 | 117.7° | 120.0° |
| C41 | C42 | C43 | C44 | 180.0° | 180.0° |
| C41 | C42 | C43 | H431 | 65.0° | 60.0° |
| C41 | C42 | C43 | H432 | 59.9° | 59.9° |
| H411 | C41 | C42 | C43 | 129.3° | 60.0° |
| H411 | C41 | C42 | H421 | 114.5° | 180.0° |
| H411 | C41 | C42 | H422 | 9.3° | 60.0° |
| H412 | C41 | C42 | C43 | 9.8° | 59.9° |
| H412 | C41 | C42 | H421 | 125.9° | 60.0° |
| H412 | C41 | C42 | H422 | 110.2° | 180.0° |
| C43 | C42 | H421 | H422 | 117.7° | 120.1° |
| C42 | C43 | C44 | H431 | 115.1° | 120.0° |
| C42 | C43 | C44 | H432 | 120.0° | 120.0° |
| C42 | C43 | H431 | H432 | 117.1° | 120.0° |
| C42 | C43 | C44 | C45 | 163.2° | 180.0° |
| C42 | C43 | C44 | H441 | 78.6° | 60.0° |
| C42 | C43 | C44 | H442 | 43.2° | 60.0° |
| H421 | C42 | C43 | C44 | 63.8° | 60.1° |
| H421 | C42 | C43 | H431 | 178.9° | 179.9° |
| H421 | C42 | C43 | H432 | 56.2° | 60.0° |
| H422 | C42 | C43 | C44 | 60.0° | 60.0° |
| H422 | C42 | C43 | H431 | 55.1° | 60.0° |
| H422 | C42 | C43 | H432 | 180.0° | 180.0° |
| C44 | C43 | H431 | H432 | 117.1° | 120.0° |
| C43 | C44 | C45 | H441 | 118.2° | 120.0° |
| C43 | C44 | C45 | H442 | 120.0° | 120.0° |
| C43 | C44 | H441 | H442 | 118.9° | 120.0° |
| C43 | C44 | C45 | C46 | 38.1° | 180.0° |
| C43 | C44 | C45 | H451 | 80.8° | 60.0° |
| C43 | C44 | C45 | H452 | 158.1° | 60.0° |
| H431 | C43 | C44 | C45 | 48.1° | 60.0° |
| H431 | C43 | C44 | H441 | 166.3° | 180.0° |
| H431 | C43 | C44 | H442 | 71.9° | 60.0° |
| H432 | C43 | C44 | C45 | 76.8° | 60.0° |
| H432 | C43 | C44 | H441 | 41.4° | 60.0° |
| H432 | C43 | C44 | H442 | 163.2° | 180.0° |
| C45 | C44 | H441 | H442 | 118.8° | 120.0° |
| C44 | C45 | C46 | H451 | 118.8° | 120.0° |
| C44 | C45 | C46 | H452 | 120.0° | 120.0° |
| C44 | C45 | H451 | H452 | 119.2° | 120.0° |
| C44 | C45 | C46 | C47 | 108.2° | 180.0° |
| C44 | C45 | C46 | H461 | 11.6° | 60.0° |
| C44 | C45 | C46 | H462 | 131.8° | 60.1° |
| H441 | C44 | C45 | C46 | 156.3° | 60.0° |
| H441 | C44 | C45 | H451 | 37.5° | 180.0° |
| H441 | C44 | C45 | H452 | 83.7° | 60.0° |
| H442 | C44 | C45 | C46 | 81.9° | 60.0° |
| H442 | C44 | C45 | H451 | 159.2° | 60.0° |
| H442 | C44 | C45 | H452 | 38.1° | 180.0° |
| C46 | C45 | H451 | H452 | 119.3° | 120.0° |
| C45 | C46 | C47 | H461 | 119.8° | 120.0° |
| C45 | C46 | C47 | H462 | 120.0° | 119.9° |
| C45 | C46 | H461 | H462 | 119.9° | 120.0° |
| C45 | C46 | C47 | C48 | 83.4° | 180.0° |
| C45 | C46 | C47 | H471 | 36.5° | 59.9° |
| C45 | C46 | C47 | H472 | 156.6° | 60.0° |
| H451 | C45 | C46 | C47 | 132.9° | 60.0° |
| H451 | C45 | C46 | H461 | 107.3° | 180.0° |
| H451 | C45 | C46 | H462 | 12.9° | 59.9° |
| H452 | C45 | C46 | C47 | 11.7° | 60.0° |
| H452 | C45 | C46 | H461 | 131.5° | 60.0° |
| H452 | C45 | C46 | H462 | 108.3° | 179.9° |
| C47 | C46 | H461 | H462 | 119.9° | 120.0° |
| C46 | C47 | C48 | H471 | 119.9° | 120.1° |
| C46 | C47 | C48 | H472 | 120.0° | 120.0° |
| C46 | C47 | H471 | H472 | 119.9° | 120.0° |
| C46 | C47 | C48 | H481 | 34.8° | 180.0° |
| C46 | C47 | C48 | H482 | 85.3° | 60.0° |
| C46 | C47 | C48 | H483 | 154.8° | 59.9° |
| H461 | C46 | C47 | C48 | 156.8° | 60.0° |
| H461 | C46 | C47 | H471 | 83.3° | 179.9° |
| H461 | C46 | C47 | H472 | 36.8° | 60.0° |
| H462 | C46 | C47 | C48 | 36.6° | 60.1° |
| H462 | C46 | C47 | H471 | 156.5° | 60.0° |
| H462 | C46 | C47 | H472 | 83.4° | 179.9° |
| C48 | C47 | H471 | H472 | 119.9° | 120.0° |
| C47 | C48 | H481 | H482 | 120.0° | 120.0° |
| C47 | C48 | H481 | H483 | 120.0° | 120.1° |
| C47 | C48 | H482 | H483 | 120.0° | 120.0° |
| H471 | C47 | C48 | H481 | 154.7° | 59.9° |
| H471 | C47 | C48 | H482 | 34.6° | 60.0° |
| H471 | C47 | C48 | H483 | 85.3° | 180.0° |
| H472 | C47 | C48 | H481 | 85.3° | 60.0° |
| H472 | C47 | C48 | H482 | 154.7° | NaN° |
| H472 | C47 | C48 | H483 | 34.7° | 60.0° |
| H481 | C48 | H482 | H483 | 120.0° | 120.0° |
