PEF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.45Å | 1.46Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C1 | O3P | sing | 1.43Å | 1.43Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| N | C5 | sing | 1.47Å | 1.46Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| C3 | O3 | sing | 1.45Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O4P | sing | 1.43Å | 1.45Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | O4 | doub | 1.21Å | 1.47Å | |
| C10 | O2 | sing | 1.34Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | O5 | doub | 1.21Å | 1.40Å | |
| C30 | O3 | sing | 1.34Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C33 | C34 | sing | 1.53Å | 1.56Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C34 | C35 | sing | 1.53Å | 1.57Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | sing | 1.53Å | 1.57Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.53Å | 1.56Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C39 | C40 | sing | 1.53Å | 1.55Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C40 | C41 | sing | 1.53Å | 1.56Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C41 | C42 | sing | 1.53Å | 1.56Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C42 | C43 | sing | 1.53Å | 1.56Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C43 | C44 | sing | 1.53Å | 1.57Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C43 | H431 | sing | 1.09Å | 1.12Å | |
| C44 | C45 | sing | 1.53Å | 1.57Å | |
| C44 | H442 | sing | 1.09Å | 1.12Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H453 | sing | 1.09Å | 1.12Å | |
| O1P | P | doub | 1.48Å | 1.70Å | |
| O2P | P | sing | 1.61Å | 1.69Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | P | sing | 1.61Å | 1.66Å | |
| O4P | P | sing | 1.61Å | 1.67Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 106.1° | 109.5° |
| C1 | C2 | O2 | 113.1° | 109.5° |
| C1 | C2 | H21 | 108.4° | 109.5° |
| C2 | C1 | O3P | 117.7° | 109.5° |
| C2 | C1 | H11 | 109.2° | 109.5° |
| C2 | C1 | H12 | 109.2° | 109.4° |
| C3 | C2 | O2 | 106.5° | 109.5° |
| C3 | C2 | H21 | 114.8° | 109.4° |
| C2 | C3 | O3 | 120.0° | 109.4° |
| C2 | C3 | H31 | 108.5° | 109.5° |
| C2 | C3 | H32 | 108.5° | 109.5° |
| O2 | C2 | H21 | 108.0° | 109.5° |
| C2 | O2 | C10 | 126.0° | 120.0° |
| O3P | C1 | H11 | 109.3° | 109.5° |
| O3P | C1 | H12 | 109.3° | 109.5° |
| C1 | O3P | P | 114.8° | 106.8° |
| H11 | C1 | H12 | 100.9° | 109.5° |
| C5 | N | HN1 | 115.1° | 106.7° |
| C5 | N | HN2 | 110.2° | 106.7° |
| N | C5 | C4 | 115.1° | 109.5° |
| N | C5 | H51 | 110.1° | 109.5° |
| N | C5 | H52 | 110.1° | 109.5° |
| HN1 | N | HN2 | 110.1° | 106.7° |
| O3 | C3 | H31 | 108.4° | 109.5° |
| O3 | C3 | H32 | 108.4° | 109.5° |
| C3 | O3 | C30 | 122.1° | 120.0° |
| H31 | C3 | H32 | 101.6° | 109.5° |
| C5 | C4 | O4P | 106.2° | 109.4° |
| C5 | C4 | H41 | 113.4° | 109.4° |
| C5 | C4 | H42 | 113.4° | 109.4° |
| C4 | C5 | H51 | 110.2° | 109.5° |
| C4 | C5 | H52 | 110.2° | 109.5° |
| O4P | C4 | H41 | 113.5° | 109.5° |
| O4P | C4 | H42 | 113.5° | 109.5° |
| C4 | O4P | P | 117.9° | 106.8° |
| H41 | C4 | H42 | 97.0° | 109.5° |
| H51 | C5 | H52 | 100.1° | 109.5° |
| C11 | C10 | O4 | 118.8° | 120.0° |
| C11 | C10 | O2 | 118.6° | 120.0° |
| C10 | C11 | C12 | 113.0° | 109.5° |
| C10 | C11 | H112 | 110.9° | 109.4° |
| C10 | C11 | H111 | 110.9° | 109.4° |
| O4 | C10 | O2 | 122.6° | 120.0° |
| C12 | C11 | H112 | 110.9° | 109.5° |
| C12 | C11 | H111 | 110.9° | 109.5° |
| C11 | C12 | C13 | 116.7° | 109.5° |
| C11 | C12 | H122 | 109.6° | 109.5° |
| C11 | C12 | H121 | 109.6° | 109.5° |
| H112 | C11 | H111 | 99.4° | 109.5° |
| C13 | C12 | H122 | 109.5° | 109.4° |
| C13 | C12 | H121 | 109.6° | 109.5° |
| C12 | C13 | C14 | 114.3° | 109.5° |
| C12 | C13 | H132 | 110.5° | 109.4° |
| C12 | C13 | H131 | 110.5° | 109.5° |
| H122 | C12 | H121 | 100.6° | 109.4° |
| C14 | C13 | H132 | 110.4° | 109.5° |
| C14 | C13 | H131 | 110.4° | 109.5° |
| C13 | C14 | C15 | 114.3° | 109.5° |
| C13 | C14 | H142 | 110.5° | 109.5° |
| C13 | C14 | H141 | 110.5° | 109.5° |
| H132 | C13 | H131 | 99.8° | 109.5° |
| C15 | C14 | H142 | 110.4° | 109.4° |
| C15 | C14 | H141 | 110.4° | 109.4° |
| C14 | C15 | C16 | 114.0° | 109.5° |
| C14 | C15 | H152 | 110.6° | 109.5° |
| C14 | C15 | H151 | 110.6° | 109.5° |
| H142 | C14 | H141 | 99.8° | 109.5° |
| C16 | C15 | H152 | 110.5° | 109.5° |
| C16 | C15 | H151 | 110.5° | 109.5° |
| C15 | C16 | C17 | 113.9° | 109.5° |
| C15 | C16 | H162 | 110.6° | 109.5° |
| C15 | C16 | H161 | 110.6° | 109.4° |
| H152 | C15 | H151 | 99.7° | 109.4° |
| C17 | C16 | H162 | 110.5° | 109.5° |
| C17 | C16 | H161 | 110.6° | 109.5° |
| C16 | C17 | C18 | 114.9° | 109.5° |
| C16 | C17 | H172 | 110.3° | 109.5° |
| C16 | C17 | H171 | 110.2° | 109.5° |
| H162 | C16 | H161 | 99.7° | 109.4° |
| C18 | C17 | H172 | 110.2° | 109.5° |
| C18 | C17 | H171 | 110.2° | 109.5° |
| C17 | C18 | C19 | 113.9° | 109.5° |
| C17 | C18 | H182 | 110.6° | 109.5° |
| C17 | C18 | H181 | 110.6° | 109.5° |
| H172 | C17 | H171 | 100.0° | 109.4° |
| C19 | C18 | H182 | 110.6° | 109.5° |
| C19 | C18 | H181 | 110.6° | 109.5° |
| C18 | C19 | C20 | 114.9° | 109.5° |
| C18 | C19 | H192 | 110.3° | 109.5° |
| C18 | C19 | H191 | 110.3° | 109.5° |
| H182 | C18 | H181 | 99.7° | 109.4° |
| C20 | C19 | H192 | 110.2° | 109.5° |
| C20 | C19 | H191 | 110.2° | 109.5° |
| C19 | C20 | C21 | 114.5° | 109.5° |
| C19 | C20 | H202 | 110.4° | 109.4° |
| C19 | C20 | H201 | 110.4° | 109.5° |
| H192 | C19 | H191 | 100.0° | 109.4° |
| C21 | C20 | H202 | 110.4° | 109.5° |
| C21 | C20 | H201 | 110.3° | 109.5° |
| C20 | C21 | C22 | 114.3° | 109.5° |
| C20 | C21 | H212 | 110.5° | 109.5° |
| C20 | C21 | H211 | 110.5° | 109.4° |
| H202 | C20 | H201 | 99.9° | 109.4° |
| C22 | C21 | H212 | 110.4° | 109.5° |
| C22 | C21 | H211 | 110.4° | 109.4° |
| C21 | C22 | C23 | 114.7° | 109.5° |
| C21 | C22 | H222 | 110.3° | 109.5° |
| C21 | C22 | H221 | 110.3° | 109.5° |
| H212 | C21 | H211 | 99.8° | 109.5° |
| C23 | C22 | H222 | 110.3° | 109.5° |
| C23 | C22 | H221 | 110.3° | 109.5° |
| C22 | C23 | C24 | 115.3° | 109.5° |
| C22 | C23 | H232 | 110.1° | 109.5° |
| C22 | C23 | H231 | 110.1° | 109.4° |
| H222 | C22 | H221 | 100.0° | 109.4° |
| C24 | C23 | H232 | 110.1° | 109.5° |
| C24 | C23 | H231 | 110.1° | 109.5° |
| C23 | C24 | C25 | 119.1° | 109.5° |
| C23 | C24 | H242 | 108.7° | 109.5° |
| C23 | C24 | H241 | 108.7° | 109.5° |
| H232 | C23 | H231 | 100.1° | 109.5° |
| C25 | C24 | H242 | 108.8° | 109.4° |
| C25 | C24 | H241 | 108.8° | 109.5° |
| C24 | C25 | H252 | 119.1° | 109.5° |
| C24 | C25 | H251 | 108.8° | 109.4° |
| C24 | C25 | H253 | 108.7° | 109.5° |
| H242 | C24 | H241 | 101.3° | 109.4° |
| H252 | C25 | H251 | 108.8° | 109.5° |
| H252 | C25 | H253 | 108.7° | 109.5° |
| H251 | C25 | H253 | 101.3° | 109.5° |
| C31 | C30 | O5 | 121.0° | 120.0° |
| C31 | C30 | O3 | 125.4° | 120.0° |
| C30 | C31 | C32 | 111.0° | 109.5° |
| C30 | C31 | H312 | 111.7° | 109.5° |
| C30 | C31 | H311 | 111.7° | 109.4° |
| O5 | C30 | O3 | 113.6° | 120.0° |
| C32 | C31 | H312 | 111.6° | 109.5° |
| C32 | C31 | H311 | 111.6° | 109.4° |
| C31 | C32 | C33 | 118.1° | 109.5° |
| C31 | C32 | H322 | 109.1° | 109.4° |
| C31 | C32 | H321 | 109.1° | 109.4° |
| H312 | C31 | H311 | 98.8° | 109.5° |
| C33 | C32 | H322 | 109.1° | 109.5° |
| C33 | C32 | H321 | 109.1° | 109.5° |
| C32 | C33 | C34 | 116.0° | 109.5° |
| C32 | C33 | H332 | 109.9° | 109.5° |
| C32 | C33 | H331 | 109.9° | 109.5° |
| H322 | C32 | H321 | 101.0° | 109.5° |
| C34 | C33 | H332 | 109.8° | 109.5° |
| C34 | C33 | H331 | 109.8° | 109.4° |
| C33 | C34 | C35 | 116.9° | 109.5° |
| C33 | C34 | H342 | 109.5° | 109.5° |
| C33 | C34 | H341 | 109.5° | 109.4° |
| H332 | C33 | H331 | 100.4° | 109.5° |
| C35 | C34 | H342 | 109.5° | 109.5° |
| C35 | C34 | H341 | 109.5° | 109.5° |
| C34 | C35 | C36 | 115.1° | 109.5° |
| C34 | C35 | H352 | 110.2° | 109.5° |
| C34 | C35 | H351 | 110.2° | 109.4° |
| H342 | C34 | H341 | 100.6° | 109.5° |
| C36 | C35 | H352 | 110.1° | 109.5° |
| C36 | C35 | H351 | 110.1° | 109.5° |
| C35 | C36 | C37 | 115.4° | 109.5° |
| C35 | C36 | H362 | 110.1° | 109.5° |
| C35 | C36 | H361 | 110.1° | 109.5° |
| H352 | C35 | H351 | 100.1° | 109.5° |
| C37 | C36 | H362 | 110.0° | 109.4° |
| C37 | C36 | H361 | 110.0° | 109.4° |
| C36 | C37 | C38 | 114.9° | 109.5° |
| C36 | C37 | H372 | 110.2° | 109.5° |
| C36 | C37 | H371 | 110.2° | 109.5° |
| H362 | C36 | H361 | 100.1° | 109.5° |
| C38 | C37 | H372 | 110.2° | 109.4° |
| C38 | C37 | H371 | 110.2° | 109.4° |
| C37 | C38 | C39 | 114.9° | 109.5° |
| C37 | C38 | H382 | 110.3° | 109.4° |
| C37 | C38 | H381 | 110.3° | 109.5° |
| H372 | C37 | H371 | 100.1° | 109.5° |
| C39 | C38 | H382 | 110.2° | 109.5° |
| C39 | C38 | H381 | 110.2° | 109.5° |
| C38 | C39 | C40 | 115.2° | 109.5° |
| C38 | C39 | H392 | 110.1° | 109.5° |
| C38 | C39 | H391 | 110.1° | 109.4° |
| H382 | C38 | H381 | 100.0° | 109.4° |
| C40 | C39 | H392 | 110.1° | 109.5° |
| C40 | C39 | H391 | 110.1° | 109.4° |
| C39 | C40 | C41 | 114.7° | 109.5° |
| C39 | C40 | H402 | 110.3° | 109.4° |
| C39 | C40 | H401 | 110.3° | 109.4° |
| H392 | C39 | H391 | 100.1° | 109.5° |
| C41 | C40 | H402 | 110.3° | 109.5° |
| C41 | C40 | H401 | 110.3° | 109.5° |
| C40 | C41 | C42 | 114.9° | 109.5° |
| C40 | C41 | H412 | 110.2° | 109.5° |
| C40 | C41 | H411 | 110.2° | 109.5° |
| H402 | C40 | H401 | 100.0° | 109.5° |
| C42 | C41 | H412 | 110.3° | 109.5° |
| C42 | C41 | H411 | 110.2° | 109.4° |
| C41 | C42 | C43 | 115.1° | 109.5° |
| C41 | C42 | H422 | 110.1° | 109.5° |
| C41 | C42 | H421 | 110.1° | 109.4° |
| H412 | C41 | H411 | 100.0° | 109.5° |
| C43 | C42 | H422 | 110.1° | 109.4° |
| C43 | C42 | H421 | 110.2° | 109.5° |
| C42 | C43 | C44 | 115.2° | 109.4° |
| C42 | C43 | H432 | 110.2° | 109.5° |
| C42 | C43 | H431 | 110.2° | 109.5° |
| H422 | C42 | H421 | 100.1° | 109.6° |
| C44 | C43 | H432 | 110.1° | 109.5° |
| C44 | C43 | H431 | 110.1° | 109.5° |
| C43 | C44 | C45 | 120.0° | 109.5° |
| C43 | C44 | H442 | 108.4° | 109.5° |
| C43 | C44 | H441 | 108.4° | 109.5° |
| H432 | C43 | H431 | 100.1° | 109.4° |
| C45 | C44 | H442 | 108.4° | 109.4° |
| C45 | C44 | H441 | 108.4° | 109.4° |
| C44 | C45 | H452 | 120.0° | 109.5° |
| C44 | C45 | H451 | 108.5° | 109.4° |
| C44 | C45 | H453 | 108.5° | 109.4° |
| H442 | C44 | H441 | 101.5° | 109.5° |
| H452 | C45 | H451 | 108.4° | 109.5° |
| H452 | C45 | H453 | 108.4° | 109.5° |
| H451 | C45 | H453 | 101.5° | 109.5° |
| O1P | P | O2P | 109.2° | 109.5° |
| O1P | P | O3P | 111.8° | 109.5° |
| O1P | P | O4P | 108.3° | 109.5° |
| P | O2P | HOP2 | 109.2° | 106.8° |
| O2P | P | O3P | 110.0° | 109.5° |
| O2P | P | O4P | 109.4° | 109.5° |
| O3P | P | O4P | 108.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O2 | 120.8° | 120.0° |
| C1 | C2 | C3 | H21 | 119.7° | 120.0° |
| C1 | C2 | O2 | H21 | 120.0° | 120.1° |
| C2 | C1 | O3P | H11 | 125.3° | 120.0° |
| C2 | C1 | O3P | H12 | 125.2° | 119.9° |
| C2 | C1 | H11 | H12 | 115.0° | 120.0° |
| C1 | C2 | C3 | O3 | 143.0° | 60.0° |
| C1 | C2 | C3 | H31 | 17.7° | 60.0° |
| C1 | C2 | C3 | H32 | 91.8° | 180.0° |
| C1 | C2 | O2 | C10 | 62.2° | 90.0° |
| C2 | C1 | O3P | P | 178.7° | 180.0° |
| C3 | C2 | O2 | H21 | 123.8° | 119.9° |
| C3 | C2 | C1 | O3P | 98.3° | 60.0° |
| C3 | C2 | C1 | H11 | 27.0° | 60.0° |
| C3 | C2 | C1 | H12 | 136.5° | 180.0° |
| C2 | C3 | O3 | H31 | 125.3° | 120.0° |
| C2 | C3 | O3 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H32 | 114.2° | 120.0° |
| C3 | C2 | O2 | C10 | 178.4° | 150.0° |
| C2 | C3 | O3 | C30 | 83.5° | 180.0° |
| O2 | C2 | C1 | O3P | 18.2° | 60.0° |
| O2 | C2 | C1 | H11 | 143.5° | 180.0° |
| O2 | C2 | C1 | H12 | 107.0° | 60.0° |
| O2 | C2 | C3 | O3 | 96.2° | 60.1° |
| O2 | C2 | C3 | H31 | 138.5° | 180.0° |
| O2 | C2 | C3 | H32 | 29.0° | 59.9° |
| C2 | O2 | C10 | C11 | 177.0° | 180.0° |
| C2 | O2 | C10 | O4 | 3.0° | 0.0° |
| H21 | C2 | C1 | O3P | 137.9° | 180.0° |
| H21 | C2 | C1 | H11 | 96.8° | 60.0° |
| H21 | C2 | C1 | H12 | 12.7° | 60.0° |
| H21 | C2 | C3 | O3 | 23.2° | 180.0° |
| H21 | C2 | C3 | H31 | 102.0° | 60.0° |
| H21 | C2 | C3 | H32 | 148.4° | 60.0° |
| H21 | C2 | O2 | C10 | 57.8° | 30.0° |
| O3P | C1 | H11 | H12 | 115.0° | 120.0° |
| C1 | O3P | P | O1P | 11.7° | 60.0° |
| C1 | O3P | P | O2P | 109.9° | 60.0° |
| C1 | O3P | P | O4P | 130.7° | 180.0° |
| H11 | C1 | O3P | P | 53.4° | 60.0° |
| H12 | C1 | O3P | P | 56.1° | 60.0° |
| C5 | N | HN1 | HN2 | 125.3° | 113.8° |
| N | C5 | C4 | H51 | 125.2° | 120.0° |
| N | C5 | C4 | H52 | 125.2° | 120.0° |
| N | C5 | C4 | O4P | 99.0° | 60.0° |
| N | C5 | C4 | H41 | 135.7° | 60.0° |
| N | C5 | C4 | H42 | 26.3° | 180.0° |
| N | C5 | H51 | H52 | 115.9° | 120.0° |
| HN1 | N | C5 | C4 | 180.0° | 180.0° |
| HN1 | N | C5 | H51 | 54.7° | 60.0° |
| HN1 | N | C5 | H52 | 54.7° | 59.9° |
| HN2 | N | C5 | C4 | 54.8° | 66.2° |
| HN2 | N | C5 | H51 | 180.0° | 173.8° |
| HN2 | N | C5 | H52 | 70.5° | 53.8° |
| O3 | C3 | H31 | H32 | 114.1° | 120.0° |
| C3 | O3 | C30 | C31 | 41.7° | 180.0° |
| C3 | O3 | C30 | O5 | 138.8° | 0.1° |
| H31 | C3 | O3 | C30 | 151.2° | 60.1° |
| H32 | C3 | O3 | C30 | 41.8° | 60.0° |
| C5 | C4 | O4P | H41 | 125.2° | 120.0° |
| C5 | C4 | O4P | H42 | 125.3° | 119.9° |
| C5 | C4 | H41 | H42 | 119.4° | 120.0° |
| C4 | C5 | H51 | H52 | 116.0° | 120.0° |
| C5 | C4 | O4P | P | 87.8° | 180.0° |
| O4P | C4 | H41 | H42 | 119.4° | 120.0° |
| O4P | C4 | C5 | H51 | 26.2° | 180.0° |
| O4P | C4 | C5 | H52 | 135.8° | 60.0° |
| C4 | O4P | P | O1P | 68.4° | 60.0° |
| C4 | O4P | P | O2P | 172.6° | 60.0° |
| C4 | O4P | P | O3P | 52.8° | 180.0° |
| H41 | C4 | C5 | H51 | 99.0° | 60.0° |
| H41 | C4 | C5 | H52 | 10.5° | 180.0° |
| H41 | C4 | O4P | P | 146.9° | 60.0° |
| H42 | C4 | C5 | H51 | 151.5° | 60.0° |
| H42 | C4 | C5 | H52 | 99.0° | 60.0° |
| H42 | C4 | O4P | P | 37.4° | 60.1° |
| C11 | C10 | O4 | O2 | 180.0° | 180.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | H112 | H111 | 116.8° | 120.0° |
| C10 | C11 | C12 | C13 | 179.2° | 180.0° |
| C10 | C11 | C12 | H122 | 54.0° | 60.0° |
| C10 | C11 | C12 | H121 | 55.5° | 60.0° |
| O4 | C10 | C11 | C12 | 97.5° | 0.0° |
| O4 | C10 | C11 | H112 | 137.3° | 120.0° |
| O4 | C10 | C11 | H111 | 27.8° | 120.0° |
| O2 | C10 | C11 | C12 | 82.5° | 180.0° |
| O2 | C10 | C11 | H112 | 42.7° | 60.0° |
| O2 | C10 | C11 | H111 | 152.2° | 60.0° |
| C12 | C11 | H112 | H111 | 116.7° | 120.1° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.1° |
| C11 | C12 | H122 | H121 | 115.4° | 120.0° |
| C11 | C12 | C13 | C14 | 146.9° | 180.0° |
| C11 | C12 | C13 | H132 | 87.9° | 60.0° |
| C11 | C12 | C13 | H131 | 21.6° | 60.0° |
| H112 | C11 | C12 | C13 | 55.5° | 60.1° |
| H112 | C11 | C12 | H122 | 179.2° | 180.0° |
| H112 | C11 | C12 | H121 | 69.7° | 60.0° |
| H111 | C11 | C12 | C13 | 53.9° | 60.0° |
| H111 | C11 | C12 | H122 | 71.3° | 60.0° |
| H111 | C11 | C12 | H121 | 179.2° | 179.9° |
| C13 | C12 | H122 | H121 | 115.3° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 119.9° |
| C12 | C13 | C14 | H131 | 125.3° | 120.0° |
| C12 | C13 | H132 | H131 | 116.3° | 120.0° |
| C12 | C13 | C14 | C15 | 152.1° | 180.0° |
| C12 | C13 | C14 | H142 | 82.6° | 60.1° |
| C12 | C13 | C14 | H141 | 26.8° | 60.0° |
| H122 | C12 | C13 | C14 | 21.6° | 60.0° |
| H122 | C12 | C13 | H132 | 146.9° | 180.0° |
| H122 | C12 | C13 | H131 | 103.6° | 60.0° |
| H121 | C12 | C13 | C14 | 87.8° | 59.9° |
| H121 | C12 | C13 | H132 | 37.4° | 60.0° |
| H121 | C12 | C13 | H131 | 146.9° | 180.0° |
| C14 | C13 | H132 | H131 | 116.2° | 120.1° |
| C13 | C14 | C15 | H142 | 125.3° | 120.0° |
| C13 | C14 | C15 | H141 | 125.3° | 120.0° |
| C13 | C14 | H142 | H141 | 116.3° | 120.1° |
| C13 | C14 | C15 | C16 | 152.4° | 180.0° |
| C13 | C14 | C15 | H152 | 82.3° | 60.0° |
| C13 | C14 | C15 | H151 | 27.1° | 60.0° |
| H132 | C13 | C14 | C15 | 26.8° | 60.0° |
| H132 | C13 | C14 | H142 | 152.1° | 180.0° |
| H132 | C13 | C14 | H141 | 98.4° | 59.9° |
| H131 | C13 | C14 | C15 | 82.6° | 60.0° |
| H131 | C13 | C14 | H142 | 42.7° | 59.9° |
| H131 | C13 | C14 | H141 | 152.1° | 180.0° |
| C15 | C14 | H142 | H141 | 116.2° | 119.9° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | H152 | H151 | 116.5° | 120.0° |
| C14 | C15 | C16 | C17 | 109.8° | 180.0° |
| C14 | C15 | C16 | H162 | 125.0° | 60.0° |
| C14 | C15 | C16 | H161 | 15.5° | 60.0° |
| H142 | C14 | C15 | C16 | 27.1° | 59.9° |
| H142 | C14 | C15 | H152 | 152.4° | 180.0° |
| H142 | C14 | C15 | H151 | 98.2° | 60.1° |
| H141 | C14 | C15 | C16 | 82.3° | 60.0° |
| H141 | C14 | C15 | H152 | 43.0° | 60.0° |
| H141 | C14 | C15 | H151 | 152.4° | 179.9° |
| C16 | C15 | H152 | H151 | 116.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | H162 | H161 | 116.5° | 120.0° |
| C15 | C16 | C17 | C18 | 149.5° | 180.0° |
| C15 | C16 | C17 | H172 | 24.2° | 60.0° |
| C15 | C16 | C17 | H171 | 85.2° | 60.0° |
| H152 | C15 | C16 | C17 | 15.5° | 60.0° |
| H152 | C15 | C16 | H162 | 109.7° | 180.0° |
| H152 | C15 | C16 | H161 | 140.8° | 60.0° |
| H151 | C15 | C16 | C17 | 124.9° | 60.0° |
| H151 | C15 | C16 | H162 | 0.3° | 60.0° |
| H151 | C15 | C16 | H161 | 109.9° | 180.0° |
| C17 | C16 | H162 | H161 | 116.4° | 120.0° |
| C16 | C17 | C18 | H172 | 125.3° | 120.0° |
| C16 | C17 | C18 | H171 | 125.3° | 120.0° |
| C16 | C17 | H172 | H171 | 116.1° | 120.0° |
| C16 | C17 | C18 | C19 | 153.1° | 180.0° |
| C16 | C17 | C18 | H182 | 27.9° | 59.9° |
| C16 | C17 | C18 | H181 | 81.6° | 60.0° |
| H162 | C16 | C17 | C18 | 85.2° | 60.0° |
| H162 | C16 | C17 | H172 | 149.5° | 180.0° |
| H162 | C16 | C17 | H171 | 40.0° | 60.0° |
| H161 | C16 | C17 | C18 | 24.2° | 60.0° |
| H161 | C16 | C17 | H172 | 101.1° | 60.0° |
| H161 | C16 | C17 | H171 | 149.5° | 180.0° |
| C18 | C17 | H172 | H171 | 116.0° | 120.0° |
| C17 | C18 | C19 | H182 | 125.2° | 120.0° |
| C17 | C18 | C19 | H181 | 125.3° | 120.0° |
| C17 | C18 | H182 | H181 | 116.5° | 120.0° |
| C17 | C18 | C19 | C20 | 125.3° | 180.0° |
| C17 | C18 | C19 | H192 | 0.1° | 60.0° |
| C17 | C18 | C19 | H191 | 109.4° | 60.0° |
| H172 | C17 | C18 | C19 | 81.6° | 60.0° |
| H172 | C17 | C18 | H182 | 153.2° | 180.0° |
| H172 | C17 | C18 | H181 | 43.7° | 60.0° |
| H171 | C17 | C18 | C19 | 27.8° | 60.0° |
| H171 | C17 | C18 | H182 | 97.4° | 60.1° |
| H171 | C17 | C18 | H181 | 153.1° | 180.0° |
| C19 | C18 | H182 | H181 | 116.4° | 120.0° |
| C18 | C19 | C20 | H192 | 125.3° | 120.1° |
| C18 | C19 | C20 | H191 | 125.3° | 120.0° |
| C18 | C19 | H192 | H191 | 116.1° | 120.0° |
| C18 | C19 | C20 | C21 | 161.9° | 180.0° |
| C18 | C19 | C20 | H202 | 36.6° | 60.0° |
| C18 | C19 | C20 | H201 | 72.9° | 60.0° |
| H182 | C18 | C19 | C20 | 109.4° | 60.0° |
| H182 | C18 | C19 | H192 | 125.3° | 180.0° |
| H182 | C18 | C19 | H191 | 15.8° | 60.0° |
| H181 | C18 | C19 | C20 | 0.1° | 60.0° |
| H181 | C18 | C19 | H192 | 125.2° | 60.0° |
| H181 | C18 | C19 | H191 | 125.3° | 180.0° |
| C20 | C19 | H192 | H191 | 116.0° | 120.0° |
| C19 | C20 | C21 | H202 | 125.2° | 120.0° |
| C19 | C20 | C21 | H201 | 125.3° | 120.0° |
| C19 | C20 | H202 | H201 | 116.3° | 120.0° |
| C19 | C20 | C21 | C22 | 37.7° | 180.0° |
| C19 | C20 | C21 | H212 | 87.6° | 59.9° |
| C19 | C20 | C21 | H211 | 163.0° | 60.0° |
| H192 | C19 | C20 | C21 | 72.8° | 59.9° |
| H192 | C19 | C20 | H202 | 161.9° | 180.0° |
| H192 | C19 | C20 | H201 | 52.4° | 60.1° |
| H191 | C19 | C20 | C21 | 36.6° | 60.0° |
| H191 | C19 | C20 | H202 | 88.6° | 60.0° |
| H191 | C19 | C20 | H201 | 161.8° | 180.0° |
| C21 | C20 | H202 | H201 | 116.2° | 120.0° |
| C20 | C21 | C22 | H212 | 125.3° | 120.0° |
| C20 | C21 | C22 | H211 | 125.3° | 119.9° |
| C20 | C21 | H212 | H211 | 116.3° | 119.9° |
| C20 | C21 | C22 | C23 | 122.0° | NaN° |
| C20 | C21 | C22 | H222 | 112.8° | 60.0° |
| C20 | C21 | C22 | H221 | 3.3° | 60.0° |
| H202 | C20 | C21 | C22 | 162.9° | 60.0° |
| H202 | C20 | C21 | H212 | 37.7° | 179.9° |
| H202 | C20 | C21 | H211 | 71.8° | 60.0° |
| H201 | C20 | C21 | C22 | 87.6° | 60.0° |
| H201 | C20 | C21 | H212 | 147.2° | 60.1° |
| H201 | C20 | C21 | H211 | 37.7° | 180.0° |
| C22 | C21 | H212 | H211 | 116.2° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 120.0° |
| C21 | C22 | C23 | H221 | 125.3° | 120.0° |
| C21 | C22 | H222 | H221 | 116.2° | 120.0° |
| C21 | C22 | C23 | C24 | 96.6° | 180.0° |
| C21 | C22 | C23 | H232 | 28.7° | 60.0° |
| C21 | C22 | C23 | H231 | 138.2° | 60.1° |
| H212 | C21 | C22 | C23 | 3.3° | 60.0° |
| H212 | C21 | C22 | H222 | 121.9° | 180.0° |
| H212 | C21 | C22 | H221 | 128.6° | 60.0° |
| H211 | C21 | C22 | C23 | 112.7° | 60.1° |
| H211 | C21 | C22 | H222 | 12.5° | 60.0° |
| H211 | C21 | C22 | H221 | 122.0° | 179.9° |
| C23 | C22 | H222 | H221 | 116.1° | 120.0° |
| C22 | C23 | C24 | H232 | 125.3° | 120.0° |
| C22 | C23 | C24 | H231 | 125.3° | 119.9° |
| C22 | C23 | H232 | H231 | 115.9° | 120.0° |
| C22 | C23 | C24 | C25 | 133.5° | 179.9° |
| C22 | C23 | C24 | H242 | 101.3° | 60.0° |
| C22 | C23 | C24 | H241 | 8.2° | 60.0° |
| H222 | C22 | C23 | C24 | 138.2° | 60.0° |
| H222 | C22 | C23 | H232 | 96.5° | 180.0° |
| H222 | C22 | C23 | H231 | 12.9° | 60.0° |
| H221 | C22 | C23 | C24 | 28.7° | 60.0° |
| H221 | C22 | C23 | H232 | 154.0° | 60.0° |
| H221 | C22 | C23 | H231 | 96.6° | 180.0° |
| C24 | C23 | H232 | H231 | 115.9° | 120.0° |
| C23 | C24 | C25 | H242 | 125.2° | 120.0° |
| C23 | C24 | C25 | H241 | 125.3° | 120.1° |
| C23 | C24 | H242 | H241 | 114.5° | 120.0° |
| C23 | C24 | C25 | H252 | 180.0° | 180.0° |
| C23 | C24 | C25 | H251 | 54.7° | 60.0° |
| C23 | C24 | C25 | H253 | 54.8° | 60.0° |
| H232 | C23 | C24 | C25 | 8.2° | 60.1° |
| H232 | C23 | C24 | H242 | 133.5° | 180.0° |
| H232 | C23 | C24 | H241 | 117.0° | 60.0° |
| H231 | C23 | C24 | C25 | 101.2° | 60.0° |
| H231 | C23 | C24 | H242 | 24.0° | 60.0° |
| H231 | C23 | C24 | H241 | 133.5° | 179.9° |
| C25 | C24 | H242 | H241 | 114.5° | 120.0° |
| C24 | C25 | H252 | H251 | 125.3° | 120.0° |
| C24 | C25 | H252 | H253 | 125.2° | 120.1° |
| C24 | C25 | H251 | H253 | 114.4° | 120.0° |
| H242 | C24 | C25 | H252 | 54.8° | 60.0° |
| H242 | C24 | C25 | H251 | 179.9° | 180.0° |
| H242 | C24 | C25 | H253 | 70.4° | 60.1° |
| H241 | C24 | C25 | H252 | 54.8° | 60.0° |
| H241 | C24 | C25 | H251 | 70.5° | 60.0° |
| H241 | C24 | C25 | H253 | 180.0° | 180.0° |
| H252 | C25 | H251 | H253 | 114.4° | 120.0° |
| C31 | C30 | O5 | O3 | 179.6° | 180.0° |
| C30 | C31 | C32 | H312 | 125.3° | 120.0° |
| C30 | C31 | C32 | H311 | 125.2° | 120.0° |
| C30 | C31 | H312 | H311 | 117.6° | 120.0° |
| C30 | C31 | C32 | C33 | 64.3° | 180.0° |
| C30 | C31 | C32 | H322 | 61.0° | 60.0° |
| C30 | C31 | C32 | H321 | 170.5° | 60.0° |
| O5 | C30 | C31 | C32 | 0.2° | 0.0° |
| O5 | C30 | C31 | H312 | 125.4° | 120.0° |
| O5 | C30 | C31 | H311 | 125.0° | 120.0° |
| O3 | C30 | C31 | C32 | 179.7° | 180.0° |
| O3 | C30 | C31 | H312 | 55.0° | 60.0° |
| O3 | C30 | C31 | H311 | 54.5° | 60.0° |
| C32 | C31 | H312 | H311 | 117.5° | 120.0° |
| C31 | C32 | C33 | H322 | 125.3° | 120.0° |
| C31 | C32 | C33 | H321 | 125.3° | 120.0° |
| C31 | C32 | H322 | H321 | 114.9° | 119.9° |
| C31 | C32 | C33 | C34 | 109.8° | 180.0° |
| C31 | C32 | C33 | H332 | 15.5° | 60.0° |
| C31 | C32 | C33 | H331 | 125.0° | 60.1° |
| H312 | C31 | C32 | C33 | 170.5° | 60.0° |
| H312 | C31 | C32 | H322 | 64.2° | 180.0° |
| H312 | C31 | C32 | H321 | 45.2° | 60.1° |
| H311 | C31 | C32 | C33 | 61.0° | 60.0° |
| H311 | C31 | C32 | H322 | 173.7° | 60.0° |
| H311 | C31 | C32 | H321 | 64.3° | 180.0° |
| C33 | C32 | H322 | H321 | 114.8° | 120.1° |
| C32 | C33 | C34 | H332 | 125.3° | 120.0° |
| C32 | C33 | C34 | H331 | 125.3° | 119.9° |
| C32 | C33 | H332 | H331 | 115.7° | 120.0° |
| C32 | C33 | C34 | C35 | 20.4° | 180.0° |
| C32 | C33 | C34 | H342 | 104.9° | 60.0° |
| C32 | C33 | C34 | H341 | 145.6° | 60.0° |
| H322 | C32 | C33 | C34 | 124.9° | 60.0° |
| H322 | C32 | C33 | H332 | 109.8° | 179.9° |
| H322 | C32 | C33 | H331 | 0.3° | 59.9° |
| H321 | C32 | C33 | C34 | 15.5° | 60.0° |
| H321 | C32 | C33 | H332 | 140.8° | 60.0° |
| H321 | C32 | C33 | H331 | 109.7° | 180.0° |
| C34 | C33 | H332 | H331 | 115.6° | 120.0° |
| C33 | C34 | C35 | H342 | 125.3° | 120.1° |
| C33 | C34 | C35 | H341 | 125.3° | 119.9° |
| C33 | C34 | H342 | H341 | 115.3° | 120.0° |
| C33 | C34 | C35 | C36 | 147.6° | 180.0° |
| C33 | C34 | C35 | H352 | 22.3° | 59.9° |
| C33 | C34 | C35 | H351 | 87.2° | 60.0° |
| H332 | C33 | C34 | C35 | 145.7° | 60.0° |
| H332 | C33 | C34 | H342 | 20.4° | 180.0° |
| H332 | C33 | C34 | H341 | 89.1° | 60.0° |
| H331 | C33 | C34 | C35 | 104.8° | 60.1° |
| H331 | C33 | C34 | H342 | 129.9° | 60.0° |
| H331 | C33 | C34 | H341 | 20.4° | 180.0° |
| C35 | C34 | H342 | H341 | 115.2° | 120.0° |
| C34 | C35 | C36 | H352 | 125.3° | 120.0° |
| C34 | C35 | C36 | H351 | 125.3° | 120.0° |
| C34 | C35 | H352 | H351 | 116.0° | 120.0° |
| C34 | C35 | C36 | C37 | 105.3° | 180.0° |
| C34 | C35 | C36 | H362 | 20.0° | 60.0° |
| C34 | C35 | C36 | H361 | 129.5° | 60.0° |
| H342 | C34 | C35 | C36 | 87.1° | 60.0° |
| H342 | C34 | C35 | H352 | 147.6° | 180.0° |
| H342 | C34 | C35 | H351 | 38.1° | 60.1° |
| H341 | C34 | C35 | C36 | 22.3° | 60.0° |
| H341 | C34 | C35 | H352 | 102.9° | 60.0° |
| H341 | C34 | C35 | H351 | 147.5° | 180.0° |
| C36 | C35 | H352 | H351 | 115.9° | 120.0° |
| C35 | C36 | C37 | H362 | 125.3° | 120.0° |
| C35 | C36 | C37 | H361 | 125.3° | 120.0° |
| C35 | C36 | H362 | H361 | 115.9° | 120.1° |
| C35 | C36 | C37 | C38 | 152.9° | 180.0° |
| C35 | C36 | C37 | H372 | 27.6° | 60.1° |
| C35 | C36 | C37 | H371 | 81.9° | 60.0° |
| H352 | C35 | C36 | C37 | 129.5° | 60.0° |
| H352 | C35 | C36 | H362 | 105.3° | 180.0° |
| H352 | C35 | C36 | H361 | 4.2° | 60.0° |
| H351 | C35 | C36 | C37 | 20.0° | 60.0° |
| H351 | C35 | C36 | H362 | 145.3° | 60.0° |
| H351 | C35 | C36 | H361 | 105.3° | 180.0° |
| C37 | C36 | H362 | H361 | 115.8° | 119.9° |
| C36 | C37 | C38 | H372 | 125.3° | 119.9° |
| C36 | C37 | C38 | H371 | 125.3° | 120.0° |
| C36 | C37 | H372 | H371 | 116.1° | 120.1° |
| C36 | C37 | C38 | C39 | 73.3° | 180.0° |
| C36 | C37 | C38 | H382 | 52.0° | 60.0° |
| C36 | C37 | C38 | H381 | 161.5° | 59.9° |
| H362 | C36 | C37 | C38 | 81.9° | 60.0° |
| H362 | C36 | C37 | H372 | 152.9° | 179.9° |
| H362 | C36 | C37 | H371 | 43.4° | 60.0° |
| H361 | C36 | C37 | C38 | 27.5° | 60.0° |
| H361 | C36 | C37 | H372 | 97.7° | 60.0° |
| H361 | C36 | C37 | H371 | 152.8° | 180.0° |
| C38 | C37 | H372 | H371 | 116.0° | 120.0° |
| C37 | C38 | C39 | H382 | 125.3° | 120.0° |
| C37 | C38 | C39 | H381 | 125.3° | 120.1° |
| C37 | C38 | H382 | H381 | 116.1° | 120.0° |
| C37 | C38 | C39 | C40 | 67.3° | 180.0° |
| C37 | C38 | C39 | H392 | 58.0° | 60.0° |
| C37 | C38 | C39 | H391 | 167.5° | 60.0° |
| H372 | C37 | C38 | C39 | 161.5° | 60.0° |
| H372 | C37 | C38 | H382 | 73.3° | 180.0° |
| H372 | C37 | C38 | H381 | 36.2° | 60.0° |
| H371 | C37 | C38 | C39 | 52.0° | 60.0° |
| H371 | C37 | C38 | H382 | 177.3° | 60.0° |
| H371 | C37 | C38 | H381 | 73.3° | 180.0° |
| C39 | C38 | H382 | H381 | 116.0° | 120.0° |
| C38 | C39 | C40 | H392 | 125.3° | 120.0° |
| C38 | C39 | C40 | H391 | 125.2° | 119.9° |
| C38 | C39 | H392 | H391 | 116.0° | 120.0° |
| C38 | C39 | C40 | C41 | 154.3° | NaN° |
| C38 | C39 | C40 | H402 | 80.5° | 60.0° |
| C38 | C39 | C40 | H401 | 29.0° | 60.0° |
| H382 | C38 | C39 | C40 | 167.4° | 60.0° |
| H382 | C38 | C39 | H392 | 67.3° | 180.0° |
| H382 | C38 | C39 | H391 | 42.2° | 60.0° |
| H381 | C38 | C39 | C40 | 58.0° | 60.0° |
| H381 | C38 | C39 | H392 | 176.7° | 60.1° |
| H381 | C38 | C39 | H391 | 67.2° | 179.9° |
| C40 | C39 | H392 | H391 | 115.9° | 120.0° |
| C39 | C40 | C41 | H402 | 125.2° | 120.0° |
| C39 | C40 | C41 | H401 | 125.3° | 120.0° |
| C39 | C40 | H402 | H401 | 116.2° | 119.9° |
| C39 | C40 | C41 | C42 | 140.7° | NaN° |
| C39 | C40 | C41 | H412 | 15.4° | 60.0° |
| C39 | C40 | C41 | H411 | 94.1° | 60.0° |
| H392 | C39 | C40 | C41 | 29.0° | 60.0° |
| H392 | C39 | C40 | H402 | 154.2° | 180.0° |
| H392 | C39 | C40 | H401 | 96.3° | 60.1° |
| H391 | C39 | C40 | C41 | 80.5° | 60.1° |
| H391 | C39 | C40 | H402 | 44.8° | 60.0° |
| H391 | C39 | C40 | H401 | 154.3° | 179.9° |
| C41 | C40 | H402 | H401 | 116.1° | 120.0° |
| C40 | C41 | C42 | H412 | 125.3° | 120.0° |
| C40 | C41 | C42 | H411 | 125.3° | 120.0° |
| C40 | C41 | H412 | H411 | 116.0° | 120.0° |
| C40 | C41 | C42 | C43 | 151.7° | 180.0° |
| C40 | C41 | C42 | H422 | 26.5° | 60.0° |
| C40 | C41 | C42 | H421 | 83.0° | 60.1° |
| H402 | C40 | C41 | C42 | 94.1° | 60.0° |
| H402 | C40 | C41 | H412 | 140.6° | 180.0° |
| H402 | C40 | C41 | H411 | 31.2° | 60.0° |
| H401 | C40 | C41 | C42 | 15.4° | 60.0° |
| H401 | C40 | C41 | H412 | 109.9° | 60.0° |
| H401 | C40 | C41 | H411 | 140.7° | 180.0° |
| C42 | C41 | H412 | H411 | 116.1° | 120.0° |
| C41 | C42 | C43 | H422 | 125.2° | 120.0° |
| C41 | C42 | C43 | H421 | 125.2° | 119.9° |
| C41 | C42 | H422 | H421 | 116.0° | 120.0° |
| C41 | C42 | C43 | C44 | 77.4° | 180.0° |
| C41 | C42 | C43 | H432 | 157.4° | 60.0° |
| C41 | C42 | C43 | H431 | 47.8° | 60.0° |
| H412 | C41 | C42 | C43 | 83.0° | 60.0° |
| H412 | C41 | C42 | H422 | 151.8° | 180.0° |
| H412 | C41 | C42 | H421 | 42.2° | 60.0° |
| H411 | C41 | C42 | C43 | 26.4° | 60.0° |
| H411 | C41 | C42 | H422 | 98.8° | 60.0° |
| H411 | C41 | C42 | H421 | 151.7° | 180.0° |
| C43 | C42 | H422 | H421 | 116.0° | 120.0° |
| C42 | C43 | C44 | H432 | 125.3° | 120.0° |
| C42 | C43 | C44 | H431 | 125.3° | 120.0° |
| C42 | C43 | H432 | H431 | 116.0° | 120.0° |
| C42 | C43 | C44 | C45 | 158.4° | 180.0° |
| C42 | C43 | C44 | H442 | 76.4° | 60.0° |
| C42 | C43 | C44 | H441 | 33.1° | 60.0° |
| H422 | C42 | C43 | C44 | 47.8° | 60.1° |
| H422 | C42 | C43 | H432 | 77.4° | 180.0° |
| H422 | C42 | C43 | H431 | 173.1° | 60.0° |
| H421 | C42 | C43 | C44 | 157.4° | 60.0° |
| H421 | C42 | C43 | H432 | 32.1° | 60.0° |
| H421 | C42 | C43 | H431 | 77.4° | 179.9° |
| C44 | C43 | H432 | H431 | 115.9° | 120.1° |
| C43 | C44 | C45 | H442 | 125.3° | 120.0° |
| C43 | C44 | C45 | H441 | 125.3° | 120.0° |
| C43 | C44 | H442 | H441 | 114.1° | 120.1° |
| C43 | C44 | C45 | H452 | 180.0° | 180.0° |
| C43 | C44 | C45 | H451 | 54.7° | 60.0° |
| C43 | C44 | C45 | H453 | 54.8° | 60.0° |
| H432 | C43 | C44 | C45 | 33.0° | 60.0° |
| H432 | C43 | C44 | H442 | 158.3° | 180.0° |
| H432 | C43 | C44 | H441 | 92.3° | 59.9° |
| H431 | C43 | C44 | C45 | 76.4° | 60.0° |
| H431 | C43 | C44 | H442 | 48.9° | 60.0° |
| H431 | C43 | C44 | H441 | 158.3° | 179.9° |
| C45 | C44 | H442 | H441 | 114.1° | 119.9° |
| C44 | C45 | H452 | H451 | 125.3° | 120.0° |
| C44 | C45 | H452 | H453 | 125.3° | 120.0° |
| C44 | C45 | H451 | H453 | 114.1° | 119.9° |
| H442 | C44 | C45 | H452 | 54.7° | 59.9° |
| H442 | C44 | C45 | H451 | 180.0° | 60.1° |
| H442 | C44 | C45 | H453 | 70.5° | 180.0° |
| H441 | C44 | C45 | H452 | 54.7° | 60.0° |
| H441 | C44 | C45 | H451 | 70.6° | 180.0° |
| H441 | C44 | C45 | H453 | 179.9° | 60.0° |
| H452 | C45 | H451 | H453 | 114.0° | 120.1° |
| O1P | P | O2P | O3P | 123.0° | 120.0° |
| O1P | P | O2P | O4P | 118.3° | 120.0° |
| O1P | P | O2P | HOP2 | 180.0° | 180.0° |
| O1P | P | O3P | O4P | 119.1° | 120.0° |
| O2P | P | O3P | O4P | 119.4° | 120.0° |
| HOP2 | O2P | P | O3P | 56.9° | 60.0° |
| HOP2 | O2P | P | O4P | 61.7° | 60.0° |
