PQ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.48Å | 1.48Å | |
| C1 | C10 | sing | 1.48Å | 1.49Å | |
| C2 | C3 | doub | 1.34Å | 1.41Å | |
| C2 | C11 | sing | 1.51Å | 1.56Å | |
| C3 | C4 | sing | 1.48Å | 1.48Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.48Å | 1.47Å | |
| C5 | C6 | sing | 1.51Å | 1.39Å | |
| C5 | C10 | doub | 1.34Å | 1.41Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H63 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.51Å | 1.40Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C9 | H93 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.51Å | 1.47Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | doub | 1.31Å | 1.39Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.48Å | |
| C13 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.51Å | 1.45Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | doub | 1.31Å | 1.40Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.51Å | 1.47Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | doub | 1.31Å | 1.42Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.51Å | 1.44Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | doub | 1.31Å | 1.42Å | |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.51Å | 1.55Å | |
| C28 | C30 | sing | 1.51Å | 1.54Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.51Å | 1.46Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | doub | 1.31Å | 1.40Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.51Å | 1.57Å | |
| C33 | C35 | sing | 1.51Å | 1.61Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C34 | H343 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.51Å | 1.43Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | C38 | doub | 1.31Å | 1.41Å | |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | sing | 1.51Å | 1.57Å | |
| C38 | C40 | sing | 1.51Å | 1.47Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| C40 | C41 | sing | 1.53Å | 1.51Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C41 | C42 | sing | 1.51Å | 1.43Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C42 | C43 | doub | 1.31Å | 1.40Å | |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | C44 | sing | 1.51Å | 1.54Å | |
| C43 | C45 | sing | 1.51Å | 1.54Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C45 | H453 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.5° | 120.0° |
| O1 | C1 | C10 | 121.1° | 120.0° |
| C2 | C1 | C10 | 119.4° | 120.0° |
| C1 | C2 | C3 | 119.3° | 120.0° |
| C1 | C2 | C11 | 119.0° | 120.0° |
| C1 | C10 | C5 | 120.5° | 120.0° |
| C1 | C10 | C9 | 119.3° | 120.0° |
| C3 | C2 | C11 | 121.7° | 120.0° |
| C2 | C3 | C4 | 121.2° | 120.0° |
| C2 | C3 | H3 | 116.9° | 120.0° |
| C2 | C11 | C12 | 119.7° | 109.5° |
| C2 | C11 | H111 | 108.5° | 109.4° |
| C2 | C11 | H112 | 108.5° | 109.5° |
| C4 | C3 | H3 | 121.9° | 120.0° |
| C3 | C4 | O4 | 120.9° | 120.0° |
| C3 | C4 | C5 | 119.4° | 120.0° |
| O4 | C4 | C5 | 119.7° | 120.0° |
| C4 | C5 | C6 | 117.5° | 120.0° |
| C4 | C5 | C10 | 120.2° | 120.0° |
| C6 | C5 | C10 | 122.3° | 120.0° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 117.4° | 109.5° |
| C5 | C6 | H63 | 109.3° | 109.5° |
| C5 | C10 | C9 | 120.1° | 120.0° |
| H61 | C6 | H62 | 109.3° | 109.5° |
| H61 | C6 | H63 | 100.8° | 109.5° |
| H62 | C6 | H63 | 109.3° | 109.4° |
| C10 | C9 | H91 | 108.6° | 109.5° |
| C10 | C9 | H92 | 119.4° | 109.5° |
| C10 | C9 | H93 | 108.6° | 109.5° |
| H91 | C9 | H92 | 108.7° | 109.4° |
| H91 | C9 | H93 | 101.4° | 109.4° |
| H92 | C9 | H93 | 108.7° | 109.5° |
| C12 | C11 | H111 | 108.6° | 109.5° |
| C12 | C11 | H112 | 108.6° | 109.5° |
| C11 | C12 | C13 | 130.8° | 120.0° |
| C11 | C12 | H12 | 118.1° | 120.1° |
| H111 | C11 | H112 | 101.4° | 109.5° |
| C13 | C12 | H12 | 111.0° | 120.0° |
| C12 | C13 | C14 | 121.9° | 120.0° |
| C12 | C13 | C15 | 121.0° | 120.0° |
| C14 | C13 | C15 | 117.1° | 120.0° |
| C13 | C14 | H141 | 107.8° | 109.5° |
| C13 | C14 | H142 | 122.0° | 109.5° |
| C13 | C14 | H143 | 107.8° | 109.5° |
| C13 | C15 | C16 | 116.0° | 109.5° |
| C13 | C15 | H151 | 109.9° | 109.5° |
| C13 | C15 | H152 | 109.9° | 109.4° |
| H141 | C14 | H142 | 107.8° | 109.5° |
| H141 | C14 | H143 | 102.1° | 109.4° |
| H142 | C14 | H143 | 107.8° | 109.4° |
| C16 | C15 | H151 | 109.9° | 109.5° |
| C16 | C15 | H152 | 109.8° | 109.4° |
| C15 | C16 | C17 | 113.5° | 109.5° |
| C15 | C16 | H161 | 110.7° | 109.5° |
| C15 | C16 | H162 | 110.8° | 109.5° |
| H151 | C15 | H152 | 100.3° | 109.5° |
| C17 | C16 | H161 | 110.7° | 109.5° |
| C17 | C16 | H162 | 110.7° | 109.5° |
| C16 | C17 | C18 | 130.4° | 120.0° |
| C16 | C17 | H17 | 116.8° | 119.9° |
| H161 | C16 | H162 | 99.6° | 109.5° |
| C18 | C17 | H17 | 112.8° | 120.1° |
| C17 | C18 | C19 | 126.5° | 120.0° |
| C17 | C18 | C20 | 121.7° | 120.0° |
| C19 | C18 | C20 | 111.9° | 120.0° |
| C18 | C19 | H191 | 106.2° | 109.5° |
| C18 | C19 | H192 | 126.5° | 109.5° |
| C18 | C19 | H193 | 106.2° | 109.5° |
| C18 | C20 | C21 | 112.2° | 109.5° |
| C18 | C20 | H201 | 111.2° | 109.4° |
| C18 | C20 | H202 | 111.2° | 109.4° |
| H191 | C19 | H192 | 106.2° | 109.4° |
| H191 | C19 | H193 | 103.2° | 109.5° |
| H192 | C19 | H193 | 106.2° | 109.5° |
| C21 | C20 | H201 | 111.2° | 109.5° |
| C21 | C20 | H202 | 111.2° | 109.5° |
| C20 | C21 | C22 | 115.8° | 109.5° |
| C20 | C21 | H211 | 109.9° | 109.4° |
| C20 | C21 | H212 | 109.9° | 109.4° |
| H201 | C20 | H202 | 99.1° | 109.4° |
| C22 | C21 | H211 | 109.9° | 109.5° |
| C22 | C21 | H212 | 109.9° | 109.5° |
| C21 | C22 | C23 | 130.3° | 120.0° |
| C21 | C22 | H22 | 116.8° | 120.0° |
| H211 | C21 | H212 | 100.3° | 109.5° |
| C23 | C22 | H22 | 113.0° | 120.0° |
| C22 | C23 | C24 | 125.1° | 120.0° |
| C22 | C23 | C25 | 123.9° | 120.0° |
| C24 | C23 | C25 | 111.1° | 120.0° |
| C23 | C24 | H241 | 106.7° | 109.5° |
| C23 | C24 | H242 | 125.1° | 109.4° |
| C23 | C24 | H243 | 106.7° | 109.4° |
| C23 | C25 | C26 | 104.1° | 109.5° |
| C23 | C25 | H251 | 114.3° | 109.5° |
| C23 | C25 | H252 | 114.3° | 109.5° |
| H241 | C24 | H242 | 106.7° | 109.5° |
| H241 | C24 | H243 | 102.9° | 109.5° |
| H242 | C24 | H243 | 106.7° | 109.5° |
| C26 | C25 | H251 | 114.2° | 109.5° |
| C26 | C25 | H252 | 114.2° | 109.4° |
| C25 | C26 | C27 | 114.4° | 109.5° |
| C25 | C26 | H261 | 110.4° | 109.4° |
| C25 | C26 | H262 | 110.4° | 109.4° |
| H251 | C25 | H252 | 96.2° | 109.5° |
| C27 | C26 | H261 | 110.4° | 109.5° |
| C27 | C26 | H262 | 110.4° | 109.5° |
| C26 | C27 | C28 | 126.0° | 119.9° |
| C26 | C27 | H27 | 117.6° | 120.0° |
| H261 | C26 | H262 | 99.9° | 109.5° |
| C28 | C27 | H27 | 116.4° | 120.1° |
| C27 | C28 | C29 | 125.4° | 120.1° |
| C27 | C28 | C30 | 122.8° | 120.0° |
| C29 | C28 | C30 | 111.7° | 120.0° |
| C28 | C29 | H291 | 106.6° | 109.5° |
| C28 | C29 | H292 | 125.4° | 109.5° |
| C28 | C29 | H293 | 106.6° | 109.5° |
| C28 | C30 | C31 | 114.8° | 109.4° |
| C28 | C30 | H301 | 110.2° | 109.5° |
| C28 | C30 | H302 | 110.2° | 109.5° |
| H291 | C29 | H292 | 106.6° | 109.4° |
| H291 | C29 | H293 | 103.0° | 109.4° |
| H292 | C29 | H293 | 106.6° | 109.4° |
| C31 | C30 | H301 | 110.3° | 109.5° |
| C31 | C30 | H302 | 110.3° | 109.5° |
| C30 | C31 | C32 | 106.5° | 109.5° |
| C30 | C31 | H311 | 113.3° | 109.5° |
| C30 | C31 | H312 | 113.3° | 109.5° |
| H301 | C30 | H302 | 100.0° | 109.5° |
| C32 | C31 | H311 | 113.3° | 109.4° |
| C32 | C31 | H312 | 113.3° | 109.4° |
| C31 | C32 | C33 | 131.9° | 120.0° |
| C31 | C32 | H32 | 116.8° | 119.9° |
| H311 | C31 | H312 | 97.2° | 109.5° |
| C33 | C32 | H32 | 111.3° | 120.0° |
| C32 | C33 | C34 | 122.8° | 120.0° |
| C32 | C33 | C35 | 115.5° | 120.0° |
| C34 | C33 | C35 | 121.8° | 120.0° |
| C33 | C34 | H341 | 107.5° | 109.5° |
| C33 | C34 | H342 | 122.8° | 109.4° |
| C33 | C34 | H343 | 107.5° | 109.5° |
| C33 | C35 | C36 | 124.1° | 109.4° |
| C33 | C35 | H351 | 107.0° | 109.4° |
| C33 | C35 | H352 | 107.1° | 109.5° |
| H341 | C34 | H342 | 107.5° | 109.5° |
| H341 | C34 | H343 | 102.3° | 109.5° |
| H342 | C34 | H343 | 107.5° | 109.5° |
| C36 | C35 | H351 | 107.1° | 109.4° |
| C36 | C35 | H352 | 107.0° | 109.6° |
| C35 | C36 | C37 | 114.6° | 109.4° |
| C35 | C36 | H361 | 110.3° | 109.4° |
| C35 | C36 | H362 | 110.3° | 109.5° |
| H351 | C35 | H352 | 102.6° | 109.5° |
| C37 | C36 | H361 | 110.3° | 109.5° |
| C37 | C36 | H362 | 110.3° | 109.5° |
| C36 | C37 | C38 | 123.9° | 120.0° |
| C36 | C37 | H37 | 119.0° | 120.0° |
| H361 | C36 | H362 | 99.9° | 109.5° |
| C38 | C37 | H37 | 117.1° | 120.0° |
| C37 | C38 | C39 | 123.0° | 120.0° |
| C37 | C38 | C40 | 129.1° | 120.0° |
| C39 | C38 | C40 | 107.9° | 120.0° |
| C38 | C39 | H391 | 107.4° | 109.5° |
| C38 | C39 | H392 | 123.0° | 109.4° |
| C38 | C39 | H393 | 107.4° | 109.4° |
| C38 | C40 | C41 | 133.9° | 109.5° |
| C38 | C40 | H401 | 103.8° | 109.5° |
| C38 | C40 | H402 | 103.8° | 109.5° |
| H391 | C39 | H392 | 107.4° | 109.5° |
| H391 | C39 | H393 | 102.4° | 109.5° |
| H392 | C39 | H393 | 107.4° | 109.5° |
| C41 | C40 | H401 | 103.8° | 109.5° |
| C41 | C40 | H402 | 103.8° | 109.5° |
| C40 | C41 | C42 | 115.0° | 109.5° |
| C40 | C41 | H411 | 110.2° | 109.5° |
| C40 | C41 | H412 | 110.2° | 109.5° |
| H401 | C40 | H402 | 104.9° | 109.4° |
| C42 | C41 | H411 | 110.2° | 109.5° |
| C42 | C41 | H412 | 110.2° | 109.4° |
| C41 | C42 | C43 | 124.3° | 120.0° |
| C41 | C42 | H42 | 119.2° | 120.0° |
| H411 | C41 | H412 | 100.0° | 109.4° |
| C43 | C42 | H42 | 116.5° | 120.0° |
| C42 | C43 | C44 | 122.1° | 120.0° |
| C42 | C43 | C45 | 125.7° | 120.0° |
| C44 | C43 | C45 | 112.2° | 120.0° |
| C43 | C44 | H441 | 107.7° | 109.4° |
| C43 | C44 | H442 | 122.1° | 109.5° |
| C43 | C44 | H443 | 107.7° | 109.5° |
| C43 | C45 | H451 | 106.5° | 109.5° |
| C43 | C45 | H452 | 125.7° | 109.5° |
| C43 | C45 | H453 | 106.5° | 109.5° |
| H441 | C44 | H442 | 107.7° | 109.5° |
| H441 | C44 | H443 | 102.1° | 109.5° |
| H442 | C44 | H443 | 107.7° | 109.5° |
| H451 | C45 | H452 | 106.5° | 109.4° |
| H451 | C45 | H453 | 103.0° | 109.5° |
| H452 | C45 | H453 | 106.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C10 | 179.7° | 179.7° |
| O1 | C1 | C2 | C3 | 179.9° | 180.0° |
| O1 | C1 | C2 | C11 | 1.3° | 0.1° |
| O1 | C1 | C10 | C5 | 179.9° | 179.7° |
| O1 | C1 | C10 | C9 | 0.2° | 0.0° |
| C1 | C2 | C3 | C11 | 178.8° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| C2 | C1 | C10 | C5 | 0.3° | 0.6° |
| C2 | C1 | C10 | C9 | 179.5° | 179.7° |
| C1 | C2 | C11 | C12 | 137.7° | 84.9° |
| C1 | C2 | C11 | H111 | 97.0° | 35.0° |
| C1 | C2 | C11 | H112 | 12.5° | 155.0° |
| C10 | C1 | C2 | C3 | 0.4° | 0.3° |
| C10 | C1 | C2 | C11 | 178.4° | 179.8° |
| C1 | C10 | C5 | C4 | 0.1° | 0.6° |
| C1 | C10 | C5 | C6 | 179.8° | 179.8° |
| C1 | C10 | C5 | C9 | 179.8° | 179.7° |
| C1 | C10 | C9 | H91 | 54.7° | 0.0° |
| C1 | C10 | C9 | H92 | 180.0° | 120.0° |
| C1 | C10 | C9 | H93 | 54.7° | 120.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | O4 | 179.5° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C3 | C2 | C11 | C12 | 43.4° | 95.0° |
| C3 | C2 | C11 | H111 | 81.9° | 145.0° |
| C3 | C2 | C11 | H112 | 168.7° | 25.1° |
| C11 | C2 | C3 | C4 | 178.5° | 180.0° |
| C11 | C2 | C3 | H3 | 1.5° | 0.1° |
| C2 | C11 | C12 | H111 | 125.3° | 119.9° |
| C2 | C11 | C12 | H112 | 125.3° | 120.0° |
| C2 | C11 | H111 | H112 | 114.2° | 120.0° |
| C2 | C11 | C12 | C13 | 173.6° | 124.8° |
| C2 | C11 | C12 | H12 | 6.4° | 55.2° |
| C3 | C4 | O4 | C5 | 179.5° | 179.9° |
| C3 | C4 | C5 | C6 | 179.7° | 180.0° |
| C3 | C4 | C5 | C10 | 0.2° | 0.4° |
| H3 | C3 | C4 | O4 | 0.5° | 0.0° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| O4 | C4 | C5 | C6 | 0.2° | 0.1° |
| O4 | C4 | C5 | C10 | 179.7° | 179.7° |
| C4 | C5 | C6 | C10 | 179.8° | 179.6° |
| C4 | C5 | C6 | H61 | 54.7° | 0.0° |
| C4 | C5 | C6 | H62 | 180.0° | 120.0° |
| C4 | C5 | C6 | H63 | 54.7° | 120.1° |
| C4 | C5 | C10 | C9 | 179.8° | 179.7° |
| C5 | C6 | H61 | H62 | 129.8° | 120.0° |
| C5 | C6 | H61 | H63 | 115.1° | 120.0° |
| C5 | C6 | H62 | H63 | 125.3° | 120.0° |
| C6 | C5 | C10 | C9 | 0.0° | 0.1° |
| C10 | C5 | C6 | H61 | 125.1° | 179.7° |
| C10 | C5 | C6 | H62 | 0.1° | 59.7° |
| C10 | C5 | C6 | H63 | 125.4° | 60.3° |
| C5 | C10 | C9 | H91 | 125.5° | 179.7° |
| C5 | C10 | C9 | H92 | 0.2° | 59.7° |
| C5 | C10 | C9 | H93 | 125.0° | 60.3° |
| H61 | C6 | H62 | H63 | 109.5° | 120.0° |
| C10 | C9 | H91 | H92 | 131.3° | 120.0° |
| C10 | C9 | H91 | H93 | 114.3° | 120.0° |
| C10 | C9 | H92 | H93 | 125.2° | 120.1° |
| H91 | C9 | H92 | H93 | 109.5° | 119.9° |
| C12 | C11 | H111 | H112 | 114.2° | 120.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 5.2° |
| C11 | C12 | C13 | C15 | 178.7° | 174.8° |
| H111 | C11 | C12 | C13 | 48.3° | 115.2° |
| H111 | C11 | C12 | H12 | 131.7° | 64.8° |
| H112 | C11 | C12 | C13 | 61.1° | 4.8° |
| H112 | C11 | C12 | H12 | 118.9° | 175.2° |
| C12 | C13 | C14 | C15 | 178.7° | 180.0° |
| C12 | C13 | C14 | H141 | 54.7° | 83.4° |
| C12 | C13 | C14 | H142 | 180.0° | 156.5° |
| C12 | C13 | C14 | H143 | 54.7° | 36.5° |
| C12 | C13 | C15 | C16 | 134.9° | 94.9° |
| C12 | C13 | C15 | H151 | 99.8° | 145.0° |
| C12 | C13 | C15 | H152 | 9.6° | 25.0° |
| H12 | C12 | C13 | C14 | 179.9° | 174.8° |
| H12 | C12 | C13 | C15 | 1.2° | 5.2° |
| C13 | C14 | H141 | H142 | 133.3° | 120.1° |
| C13 | C14 | H141 | H143 | 113.3° | 120.0° |
| C13 | C14 | H142 | H143 | 125.3° | 120.0° |
| C14 | C13 | C15 | C16 | 46.4° | 85.0° |
| C14 | C13 | C15 | H151 | 78.9° | 35.1° |
| C14 | C13 | C15 | H152 | 171.7° | 155.1° |
| C15 | C13 | C14 | H141 | 126.6° | 96.6° |
| C15 | C13 | C14 | H142 | 1.3° | 23.4° |
| C15 | C13 | C14 | H143 | 124.0° | 143.4° |
| C13 | C15 | C16 | H151 | 125.3° | 120.1° |
| C13 | C15 | C16 | H152 | 125.3° | 119.9° |
| C13 | C15 | H151 | H152 | 115.6° | 120.0° |
| C13 | C15 | C16 | C17 | 99.6° | 179.9° |
| C13 | C15 | C16 | H161 | 135.1° | 59.9° |
| C13 | C15 | C16 | H162 | 25.7° | 60.1° |
| H141 | C14 | H142 | H143 | 109.5° | 119.9° |
| C16 | C15 | H151 | H152 | 115.6° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 116.6° | 120.0° |
| C15 | C16 | C17 | C18 | 94.3° | 119.7° |
| C15 | C16 | C17 | H17 | 85.7° | 60.3° |
| H151 | C15 | C16 | C17 | 25.7° | 60.0° |
| H151 | C15 | C16 | H161 | 99.6° | 180.0° |
| H151 | C15 | C16 | H162 | 150.9° | 60.0° |
| H152 | C15 | C16 | C17 | 135.1° | 60.0° |
| H152 | C15 | C16 | H161 | 9.9° | 60.0° |
| H152 | C15 | C16 | H162 | 99.6° | 180.0° |
| C17 | C16 | H161 | H162 | 116.6° | 120.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 4.8° |
| C16 | C17 | C18 | C20 | 179.8° | 175.3° |
| H161 | C16 | C17 | C18 | 31.0° | 0.3° |
| H161 | C16 | C17 | H17 | 149.0° | 179.7° |
| H162 | C16 | C17 | C18 | 140.5° | 120.3° |
| H162 | C16 | C17 | H17 | 39.6° | 59.7° |
| C17 | C18 | C19 | C20 | 179.9° | 179.9° |
| C17 | C18 | C19 | H191 | 54.7° | 84.6° |
| C17 | C18 | C19 | H192 | 180.0° | 155.4° |
| C17 | C18 | C19 | H193 | 54.7° | 35.4° |
| C17 | C18 | C20 | C21 | 81.1° | 95.0° |
| C17 | C18 | C20 | H201 | 153.7° | 145.0° |
| C17 | C18 | C20 | H202 | 44.2° | 25.1° |
| H17 | C17 | C18 | C19 | 180.0° | 175.2° |
| H17 | C17 | C18 | C20 | 0.1° | 4.7° |
| C18 | C19 | H191 | H192 | 136.9° | 120.0° |
| C18 | C19 | H191 | H193 | 111.6° | 120.0° |
| C18 | C19 | H192 | H193 | 125.3° | 120.0° |
| C19 | C18 | C20 | C21 | 98.8° | 85.0° |
| C19 | C18 | C20 | H201 | 26.5° | 35.1° |
| C19 | C18 | C20 | H202 | 135.9° | 155.0° |
| C20 | C18 | C19 | H191 | 125.2° | 95.4° |
| C20 | C18 | C19 | H192 | 0.1° | 24.5° |
| C20 | C18 | C19 | H193 | 125.4° | 144.5° |
| C18 | C20 | C21 | H201 | 125.3° | 120.0° |
| C18 | C20 | C21 | H202 | 125.3° | 120.0° |
| C18 | C20 | H201 | H202 | 117.1° | 119.9° |
| C18 | C20 | C21 | C22 | 122.8° | 180.0° |
| C18 | C20 | C21 | H211 | 2.5° | 60.0° |
| C18 | C20 | C21 | H212 | 112.0° | 60.0° |
| H191 | C19 | H192 | H193 | 109.4° | 120.0° |
| C21 | C20 | H201 | H202 | 117.1° | 120.1° |
| C20 | C21 | C22 | H211 | 125.3° | 120.0° |
| C20 | C21 | C22 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H212 | 115.7° | 120.0° |
| C20 | C21 | C22 | C23 | 64.9° | 117.9° |
| C20 | C21 | C22 | H22 | 115.1° | 62.1° |
| H201 | C20 | C21 | C22 | 112.0° | 60.0° |
| H201 | C20 | C21 | H211 | 122.8° | 180.0° |
| H201 | C20 | C21 | H212 | 13.3° | 60.0° |
| H202 | C20 | C21 | C22 | 2.5° | 60.0° |
| H202 | C20 | C21 | H211 | 127.8° | 60.0° |
| H202 | C20 | C21 | H212 | 122.8° | 180.0° |
| C22 | C21 | H211 | H212 | 115.7° | 120.1° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 1.2° |
| C21 | C22 | C23 | C25 | 179.8° | 178.7° |
| H211 | C21 | C22 | C23 | 169.8° | 2.1° |
| H211 | C21 | C22 | H22 | 10.2° | 177.9° |
| H212 | C21 | C22 | C23 | 60.4° | 122.1° |
| H212 | C21 | C22 | H22 | 119.6° | 57.9° |
| C22 | C23 | C24 | C25 | 179.8° | 179.9° |
| C22 | C23 | C24 | H241 | 54.7° | 84.0° |
| C22 | C23 | C24 | H242 | 180.0° | 156.0° |
| C22 | C23 | C24 | H243 | 54.7° | 36.0° |
| C22 | C23 | C25 | C26 | 78.2° | 95.0° |
| C22 | C23 | C25 | H251 | 47.1° | 145.0° |
| C22 | C23 | C25 | H252 | 156.6° | 24.9° |
| H22 | C22 | C23 | C24 | 179.7° | 178.8° |
| H22 | C22 | C23 | C25 | 0.2° | 1.3° |
| C23 | C24 | H241 | H242 | 135.8° | 120.0° |
| C23 | C24 | H241 | H243 | 112.1° | 120.0° |
| C23 | C24 | H242 | H243 | 125.3° | 120.0° |
| C24 | C23 | C25 | C26 | 101.7° | 85.0° |
| C24 | C23 | C25 | H251 | 133.1° | 35.0° |
| C24 | C23 | C25 | H252 | 23.6° | 155.0° |
| C25 | C23 | C24 | H241 | 125.4° | 96.0° |
| C25 | C23 | C24 | H242 | 0.2° | 24.0° |
| C25 | C23 | C24 | H243 | 125.1° | 144.0° |
| C23 | C25 | C26 | H251 | 125.3° | 120.0° |
| C23 | C25 | C26 | H252 | 125.3° | 120.0° |
| C23 | C25 | H251 | H252 | 120.2° | 120.0° |
| C23 | C25 | C26 | C27 | 178.0° | NaN° |
| C23 | C25 | C26 | H261 | 52.7° | 60.0° |
| C23 | C25 | C26 | H262 | 56.7° | 60.0° |
| H241 | C24 | H242 | H243 | 109.5° | 120.0° |
| C26 | C25 | H251 | H252 | 120.1° | 120.0° |
| C25 | C26 | C27 | H261 | 125.2° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 116.3° | 119.9° |
| C25 | C26 | C27 | C28 | 150.9° | 117.8° |
| C25 | C26 | C27 | H27 | 29.1° | 62.2° |
| H251 | C25 | C26 | C27 | 56.8° | 60.0° |
| H251 | C25 | C26 | H261 | 178.0° | 180.0° |
| H251 | C25 | C26 | H262 | 68.5° | 60.1° |
| H252 | C25 | C26 | C27 | 52.7° | 60.0° |
| H252 | C25 | C26 | H261 | 72.6° | 60.0° |
| H252 | C25 | C26 | H262 | 178.0° | 179.9° |
| C27 | C26 | H261 | H262 | 116.2° | 120.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 1.5° |
| C26 | C27 | C28 | C30 | 179.3° | 178.5° |
| H261 | C26 | C27 | C28 | 25.6° | 2.2° |
| H261 | C26 | C27 | H27 | 154.4° | 177.8° |
| H262 | C26 | C27 | C28 | 83.8° | 122.2° |
| H262 | C26 | C27 | H27 | 96.2° | 57.7° |
| C27 | C28 | C29 | C30 | 179.4° | 180.0° |
| C27 | C28 | C29 | H291 | 54.7° | 87.6° |
| C27 | C28 | C29 | H292 | 180.0° | 152.4° |
| C27 | C28 | C29 | H293 | 54.7° | 32.4° |
| C27 | C28 | C30 | C31 | 169.2° | 95.0° |
| C27 | C28 | C30 | H301 | 43.9° | 145.0° |
| C27 | C28 | C30 | H302 | 65.5° | 24.9° |
| H27 | C27 | C28 | C29 | 180.0° | 178.6° |
| H27 | C27 | C28 | C30 | 0.7° | 1.5° |
| C28 | C29 | H291 | H292 | 136.1° | 120.1° |
| C28 | C29 | H291 | H293 | 112.0° | 120.0° |
| C28 | C29 | H292 | H293 | 125.3° | 120.0° |
| C29 | C28 | C30 | C31 | 11.4° | 85.0° |
| C29 | C28 | C30 | H301 | 136.7° | 35.0° |
| C29 | C28 | C30 | H302 | 113.9° | 155.0° |
| C30 | C28 | C29 | H291 | 124.7° | 92.4° |
| C30 | C28 | C29 | H292 | 0.6° | 27.6° |
| C30 | C28 | C29 | H293 | 125.9° | 147.7° |
| C28 | C30 | C31 | H301 | 125.3° | 120.0° |
| C28 | C30 | C31 | H302 | 125.3° | 120.0° |
| C28 | C30 | H301 | H302 | 116.1° | 120.0° |
| C28 | C30 | C31 | C32 | 179.0° | 180.0° |
| C28 | C30 | C31 | H311 | 53.7° | 60.1° |
| C28 | C30 | C31 | H312 | 55.8° | 60.0° |
| H291 | C29 | H292 | H293 | 109.4° | 119.9° |
| C31 | C30 | H301 | H302 | 116.1° | 120.0° |
| C30 | C31 | C32 | H311 | 125.2° | 120.0° |
| C30 | C31 | C32 | H312 | 125.3° | 120.0° |
| C30 | C31 | H311 | H312 | 119.3° | 120.1° |
| C30 | C31 | C32 | C33 | 168.9° | 118.2° |
| C30 | C31 | C32 | H32 | 11.1° | 61.7° |
| H301 | C30 | C31 | C32 | 55.8° | 60.0° |
| H301 | C30 | C31 | H311 | 179.0° | 180.0° |
| H301 | C30 | C31 | H312 | 69.5° | 59.9° |
| H302 | C30 | C31 | C32 | 53.7° | 60.0° |
| H302 | C30 | C31 | H311 | 71.5° | 59.9° |
| H302 | C30 | C31 | H312 | 179.0° | 180.0° |
| C32 | C31 | H311 | H312 | 119.3° | 119.9° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.2° | 5.2° |
| C31 | C32 | C33 | C35 | 179.9° | 174.7° |
| H311 | C31 | C32 | C33 | 65.9° | 1.8° |
| H311 | C31 | C32 | H32 | 114.1° | 178.3° |
| H312 | C31 | C32 | C33 | 43.6° | 121.8° |
| H312 | C31 | C32 | H32 | 136.4° | 58.3° |
| C32 | C33 | C34 | C35 | 179.6° | 180.0° |
| C32 | C33 | C34 | H341 | 54.8° | 85.3° |
| C32 | C33 | C34 | H342 | 180.0° | 154.7° |
| C32 | C33 | C34 | H343 | 54.7° | 34.7° |
| C32 | C33 | C35 | C36 | 91.3° | 95.1° |
| C32 | C33 | C35 | H351 | 143.4° | 145.0° |
| C32 | C33 | C35 | H352 | 33.9° | 25.0° |
| H32 | C32 | C33 | C34 | 179.8° | 174.7° |
| H32 | C32 | C33 | C35 | 0.1° | 5.4° |
| C33 | C34 | H341 | H342 | 134.0° | 119.9° |
| C33 | C34 | H341 | H343 | 113.0° | 120.0° |
| C33 | C34 | H342 | H343 | 125.3° | 120.0° |
| C34 | C33 | C35 | C36 | 89.0° | 85.0° |
| C34 | C33 | C35 | H351 | 36.3° | 34.9° |
| C34 | C33 | C35 | H352 | 145.7° | 154.9° |
| C35 | C33 | C34 | H341 | 125.6° | 94.6° |
| C35 | C33 | C34 | H342 | 0.3° | 25.4° |
| C35 | C33 | C34 | H343 | 124.9° | 145.4° |
| C33 | C35 | C36 | H351 | 125.3° | 119.9° |
| C33 | C35 | C36 | H352 | 125.3° | 120.0° |
| C33 | C35 | H351 | H352 | 112.5° | 120.0° |
| C33 | C35 | C36 | C37 | 116.7° | 180.0° |
| C33 | C35 | C36 | H361 | 8.5° | 60.0° |
| C33 | C35 | C36 | H362 | 118.0° | 59.9° |
| H341 | C34 | H342 | H343 | 109.5° | 120.0° |
| C36 | C35 | H351 | H352 | 112.5° | 120.1° |
| C35 | C36 | C37 | H361 | 125.2° | 119.9° |
| C35 | C36 | C37 | H362 | 125.3° | 120.1° |
| C35 | C36 | H361 | H362 | 116.2° | 120.0° |
| C35 | C36 | C37 | C38 | 136.7° | 119.7° |
| C35 | C36 | C37 | H37 | 43.3° | 60.4° |
| H351 | C35 | C36 | C37 | 118.0° | 60.1° |
| H351 | C35 | C36 | H361 | 116.7° | 180.0° |
| H351 | C35 | C36 | H362 | 7.2° | 60.0° |
| H352 | C35 | C36 | C37 | 8.6° | 60.0° |
| H352 | C35 | C36 | H361 | 133.8° | 60.0° |
| H352 | C35 | C36 | H362 | 116.7° | 180.0° |
| C37 | C36 | H361 | H362 | 116.2° | 120.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.7° | 4.8° |
| C36 | C37 | C38 | C40 | 175.7° | 175.2° |
| H361 | C36 | C37 | C38 | 98.1° | 0.3° |
| H361 | C36 | C37 | H37 | 81.9° | 179.7° |
| H362 | C36 | C37 | C38 | 11.4° | 120.3° |
| H362 | C36 | C37 | H37 | 168.6° | 59.7° |
| C37 | C38 | C39 | C40 | 177.0° | 180.0° |
| C37 | C38 | C39 | H391 | 54.8° | 84.5° |
| C37 | C38 | C39 | H392 | 180.0° | 155.4° |
| C37 | C38 | C39 | H393 | 54.8° | 35.5° |
| C37 | C38 | C40 | C41 | 176.2° | 95.0° |
| C37 | C38 | C40 | H401 | 58.6° | 145.0° |
| C37 | C38 | C40 | H402 | 50.9° | 25.0° |
| H37 | C37 | C38 | C39 | 179.3° | 175.3° |
| H37 | C37 | C38 | C40 | 4.4° | 4.8° |
| C38 | C39 | H391 | H392 | 134.1° | 120.0° |
| C38 | C39 | H391 | H393 | 113.0° | 120.0° |
| C38 | C39 | H392 | H393 | 125.3° | 120.0° |
| C39 | C38 | C40 | C41 | 0.6° | 85.0° |
| C39 | C38 | C40 | H401 | 124.6° | 35.0° |
| C39 | C38 | C40 | H402 | 125.9° | 154.9° |
| C40 | C38 | C39 | H391 | 122.3° | 95.4° |
| C40 | C38 | C39 | H392 | 3.0° | 24.6° |
| C40 | C38 | C39 | H393 | 128.2° | 144.6° |
| C38 | C40 | C41 | H401 | 125.3° | 120.0° |
| C38 | C40 | C41 | H402 | 125.2° | 120.0° |
| C38 | C40 | H401 | H402 | 108.6° | 120.0° |
| C38 | C40 | C41 | C42 | 168.8° | 180.0° |
| C38 | C40 | C41 | H411 | 43.6° | 60.0° |
| C38 | C40 | C41 | H412 | 65.9° | 60.0° |
| H391 | C39 | H392 | H393 | 109.5° | 120.0° |
| C41 | C40 | H401 | H402 | 108.7° | 120.0° |
| C40 | C41 | C42 | H411 | 125.3° | 120.0° |
| C40 | C41 | C42 | H412 | 125.3° | 120.0° |
| C40 | C41 | H411 | H412 | 116.0° | 120.0° |
| C40 | C41 | C42 | C43 | 133.1° | 119.9° |
| C40 | C41 | C42 | H42 | 46.9° | 60.1° |
| H401 | C40 | C41 | C42 | 65.9° | 60.0° |
| H401 | C40 | C41 | H411 | 168.8° | 180.0° |
| H401 | C40 | C41 | H412 | 59.4° | 60.0° |
| H402 | C40 | C41 | C42 | 43.6° | 60.0° |
| H402 | C40 | C41 | H411 | 81.7° | 60.0° |
| H402 | C40 | C41 | H412 | 168.9° | 180.0° |
| C42 | C41 | H411 | H412 | 116.0° | 119.9° |
| C41 | C42 | C43 | H42 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.4° | 2.4° |
| C41 | C42 | C43 | C45 | 179.8° | 177.6° |
| H411 | C41 | C42 | C43 | 7.8° | 0.1° |
| H411 | C41 | C42 | H42 | 172.2° | 179.9° |
| H412 | C41 | C42 | C43 | 101.6° | 120.1° |
| H412 | C41 | C42 | H42 | 78.4° | 59.9° |
| C42 | C43 | C44 | C45 | 179.8° | 180.0° |
| C42 | C43 | C44 | H441 | 54.7° | 86.9° |
| C42 | C43 | C44 | H442 | 180.0° | 153.1° |
| C42 | C43 | C44 | H443 | 54.7° | 33.1° |
| C42 | C43 | C45 | H451 | 54.7° | 0.0° |
| C42 | C43 | C45 | H452 | 180.0° | 120.0° |
| C42 | C43 | C45 | H453 | 54.7° | 120.0° |
| H42 | C42 | C43 | C44 | 179.6° | 177.6° |
| H42 | C42 | C43 | C45 | 0.2° | 2.4° |
| C43 | C44 | H441 | H442 | 133.4° | 120.0° |
| C43 | C44 | H441 | H443 | 113.3° | 120.0° |
| C43 | C44 | H442 | H443 | 125.3° | 120.1° |
| C44 | C43 | C45 | H451 | 125.5° | 179.9° |
| C44 | C43 | C45 | H452 | 0.2° | 60.0° |
| C44 | C43 | C45 | H453 | 125.1° | 60.0° |
| C45 | C43 | C44 | H441 | 125.1° | 93.2° |
| C45 | C43 | C44 | H442 | 0.2° | 26.8° |
| C45 | C43 | C44 | H443 | 125.4° | 146.9° |
| C43 | C45 | H451 | H452 | 136.3° | 120.0° |
| C43 | C45 | H451 | H453 | 111.9° | 120.1° |
| C43 | C45 | H452 | H453 | 125.3° | 120.0° |
| H441 | C44 | H442 | H443 | 109.5° | 120.0° |
| H451 | C45 | H452 | H453 | 109.4° | 120.0° |
