MQ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.47Å | 1.48Å | |
| C1 | C10 | sing | 1.48Å | 1.41Å | |
| C2 | C2M | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.34Å | 1.32Å | |
| C2M | H2M1 | sing | 1.09Å | 1.11Å | |
| C2M | H2M2 | sing | 1.09Å | 1.12Å | |
| C2M | H2M3 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.47Å | 1.43Å | |
| C3 | C11 | sing | 1.51Å | 1.49Å | |
| C4 | O4 | doub | 1.21Å | 1.25Å | |
| C4 | C5 | sing | 1.48Å | 1.46Å | |
| C5 | C6 | doub | 1.39Å | 1.35Å | Aromatic |
| C5 | C10 | sing | 1.41Å | 1.35Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.38Å | 1.35Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.39Å | 1.35Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | doub | 1.31Å | 1.36Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| 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 | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | doub | 1.31Å | 1.35Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | C20 | sing | 1.51Å | 1.50Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | doub | 1.31Å | 1.34Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.55Å | |
| C23 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | doub | 1.31Å | 1.33Å | |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | C30 | sing | 1.51Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | doub | 1.31Å | 1.34Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C33 | C35 | sing | 1.51Å | 1.54Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C34 | H343 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | C37 | sing | 1.51Å | 1.57Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | doub | 1.31Å | 1.34Å | |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C38 | C40 | sing | 1.51Å | 1.54Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| C40 | C41 | sing | 1.53Å | 1.56Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C41 | C42 | sing | 1.51Å | 1.55Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C42 | C43 | doub | 1.31Å | 1.36Å | |
| 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 | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.12Å | |
| C44 | H443 | sing | 1.09Å | 1.11Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| 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 | 124.0° | 120.1° |
| O1 | C1 | C10 | 114.8° | 120.1° |
| C2 | C1 | C10 | 121.0° | 119.8° |
| C1 | C2 | C2M | 111.2° | 119.6° |
| C1 | C2 | C3 | 120.1° | 120.9° |
| C1 | C10 | C5 | 118.6° | 119.3° |
| C1 | C10 | C9 | 118.3° | 120.9° |
| C2M | C2 | C3 | 128.4° | 119.5° |
| C2 | C2M | H2M1 | 111.2° | 109.5° |
| C2 | C2M | H2M2 | 111.6° | 109.5° |
| C2 | C2M | H2M3 | 111.6° | 109.5° |
| C2 | C3 | C4 | 118.9° | 120.9° |
| C2 | C3 | C11 | 132.4° | 119.6° |
| H2M1 | C2M | H2M2 | 111.6° | 109.4° |
| H2M1 | C2M | H2M3 | 111.6° | 109.4° |
| H2M2 | C2M | H2M3 | 98.7° | 109.5° |
| C4 | C3 | C11 | 108.6° | 119.6° |
| C3 | C4 | O4 | 116.5° | 120.1° |
| C3 | C4 | C5 | 120.8° | 119.8° |
| C3 | C11 | C12 | 107.4° | 109.5° |
| C3 | C11 | H111 | 113.0° | 109.5° |
| C3 | C11 | H112 | 112.9° | 109.5° |
| O4 | C4 | C5 | 122.3° | 120.1° |
| C4 | C5 | C6 | 121.6° | 120.9° |
| C4 | C5 | C10 | 120.2° | 119.4° |
| C6 | C5 | C10 | 118.2° | 119.7° |
| C5 | C6 | C7 | 119.9° | 119.8° |
| C5 | C6 | H6 | 117.7° | 120.1° |
| C5 | C10 | C9 | 123.0° | 119.8° |
| C7 | C6 | H6 | 122.4° | 120.1° |
| C6 | C7 | C8 | 120.2° | 120.4° |
| C6 | C7 | H7 | 122.5° | 119.8° |
| C8 | C7 | H7 | 117.4° | 119.8° |
| C7 | C8 | C9 | 119.1° | 120.4° |
| C7 | C8 | H8 | 119.5° | 119.8° |
| C9 | C8 | H8 | 121.4° | 119.8° |
| C8 | C9 | C10 | 119.6° | 119.8° |
| C8 | C9 | H9 | 120.9° | 120.1° |
| C10 | C9 | H9 | 119.5° | 120.1° |
| C12 | C11 | H111 | 113.0° | 109.5° |
| C12 | C11 | H112 | 113.0° | 109.5° |
| C11 | C12 | C13 | 123.1° | 120.0° |
| C11 | C12 | H12 | 124.2° | 120.0° |
| H111 | C11 | H112 | 97.5° | 109.4° |
| C13 | C12 | H12 | 112.7° | 120.0° |
| C12 | C13 | C14 | 121.0° | 120.0° |
| C12 | C13 | C15 | 119.3° | 120.0° |
| C14 | C13 | C15 | 119.7° | 120.1° |
| C13 | C14 | H141 | 120.9° | 109.5° |
| C13 | C14 | H142 | 108.1° | 109.4° |
| C13 | C14 | H143 | 108.1° | 109.5° |
| C13 | C15 | C16 | 112.9° | 109.5° |
| C13 | C15 | H151 | 110.9° | 109.5° |
| C13 | C15 | H152 | 111.0° | 109.4° |
| H141 | C14 | H142 | 108.1° | 109.5° |
| H141 | C14 | H143 | 108.2° | 109.5° |
| H142 | C14 | H143 | 101.8° | 109.5° |
| C16 | C15 | H151 | 110.9° | 109.5° |
| C16 | C15 | H152 | 111.0° | 109.5° |
| C15 | C16 | C17 | 110.0° | 109.5° |
| C15 | C16 | H161 | 112.0° | 109.5° |
| C15 | C16 | H162 | 112.0° | 109.5° |
| H151 | C15 | H152 | 99.4° | 109.5° |
| C17 | C16 | H161 | 112.0° | 109.5° |
| C17 | C16 | H162 | 112.0° | 109.5° |
| C16 | C17 | C18 | 122.5° | 120.0° |
| C16 | C17 | H17 | 125.2° | 120.0° |
| H161 | C16 | H162 | 98.4° | 109.5° |
| C18 | C17 | H17 | 112.3° | 120.0° |
| C17 | C18 | C19 | 122.7° | 120.0° |
| C17 | C18 | C20 | 118.9° | 120.0° |
| C19 | C18 | C20 | 118.3° | 120.0° |
| C18 | C19 | H191 | 122.7° | 109.5° |
| C18 | C19 | H192 | 107.5° | 109.5° |
| C18 | C19 | H193 | 107.5° | 109.4° |
| C18 | C20 | C21 | 109.9° | 109.5° |
| C18 | C20 | H201 | 112.1° | 109.5° |
| C18 | C20 | H202 | 112.1° | 109.5° |
| H191 | C19 | H192 | 107.4° | 109.5° |
| H191 | C19 | H193 | 107.5° | 109.5° |
| H192 | C19 | H193 | 102.3° | 109.5° |
| C21 | C20 | H201 | 112.1° | 109.5° |
| C21 | C20 | H202 | 112.1° | 109.5° |
| C20 | C21 | C22 | 112.5° | 109.5° |
| C20 | C21 | H211 | 111.1° | 109.4° |
| C20 | C21 | H212 | 111.1° | 109.5° |
| H201 | C20 | H202 | 98.3° | 109.4° |
| C22 | C21 | H211 | 111.1° | 109.5° |
| C22 | C21 | H212 | 111.1° | 109.5° |
| C21 | C22 | C23 | 117.1° | 120.0° |
| C21 | C22 | H22 | 127.8° | 120.0° |
| H211 | C21 | H212 | 99.2° | 109.4° |
| C23 | C22 | H22 | 115.1° | 120.0° |
| C22 | C23 | C24 | 118.8° | 120.0° |
| C22 | C23 | C25 | 120.4° | 120.0° |
| C24 | C23 | C25 | 120.7° | 120.0° |
| C23 | C24 | H241 | 118.9° | 109.5° |
| C23 | C24 | H242 | 108.9° | 109.5° |
| C23 | C24 | H243 | 108.8° | 109.5° |
| C23 | C25 | C26 | 108.4° | 109.5° |
| C23 | C25 | H251 | 112.6° | 109.5° |
| C23 | C25 | H252 | 112.6° | 109.5° |
| H241 | C24 | H242 | 108.8° | 109.4° |
| H241 | C24 | H243 | 108.9° | 109.5° |
| H242 | C24 | H243 | 101.2° | 109.4° |
| C26 | C25 | H251 | 112.6° | 109.5° |
| C26 | C25 | H252 | 112.6° | 109.4° |
| C25 | C26 | C27 | 106.4° | 109.5° |
| C25 | C26 | H261 | 113.4° | 109.5° |
| C25 | C26 | H262 | 113.4° | 109.4° |
| H251 | C25 | H252 | 97.9° | 109.5° |
| C27 | C26 | H261 | 113.4° | 109.5° |
| C27 | C26 | H262 | 113.4° | 109.5° |
| C26 | C27 | C28 | 123.4° | 120.0° |
| C26 | C27 | H27 | 125.2° | 120.0° |
| H261 | C26 | H262 | 97.0° | 109.5° |
| C28 | C27 | H27 | 111.4° | 120.0° |
| C27 | C28 | C29 | 122.0° | 120.0° |
| C27 | C28 | C30 | 118.2° | 120.0° |
| C29 | C28 | C30 | 119.8° | 120.0° |
| C28 | C29 | H291 | 122.0° | 109.5° |
| C28 | C29 | H292 | 107.8° | 109.5° |
| C28 | C29 | H293 | 107.8° | 109.5° |
| C28 | C30 | C31 | 110.9° | 109.5° |
| C28 | C30 | H301 | 111.7° | 109.4° |
| C28 | C30 | H302 | 111.6° | 109.5° |
| H291 | C29 | H292 | 107.7° | 109.4° |
| H291 | C29 | H293 | 107.7° | 109.5° |
| H292 | C29 | H293 | 102.1° | 109.5° |
| C31 | C30 | H301 | 111.7° | 109.5° |
| C31 | C30 | H302 | 111.7° | 109.5° |
| C30 | C31 | C32 | 102.5° | 109.5° |
| C30 | C31 | H311 | 114.8° | 109.5° |
| C30 | C31 | H312 | 114.8° | 109.4° |
| H301 | C30 | H302 | 98.8° | 109.4° |
| C32 | C31 | H311 | 114.8° | 109.5° |
| C32 | C31 | H312 | 114.9° | 109.5° |
| C31 | C32 | C33 | 121.3° | 120.0° |
| C31 | C32 | H32 | 126.2° | 120.0° |
| H311 | C31 | H312 | 95.6° | 109.4° |
| C33 | C32 | H32 | 112.5° | 120.0° |
| C32 | C33 | C34 | 118.9° | 120.0° |
| C32 | C33 | C35 | 119.3° | 120.0° |
| C34 | C33 | C35 | 121.7° | 120.0° |
| C33 | C34 | H341 | 118.9° | 109.4° |
| C33 | C34 | H342 | 108.8° | 109.4° |
| C33 | C34 | H343 | 108.9° | 109.4° |
| C33 | C35 | C36 | 110.4° | 109.5° |
| C33 | C35 | H351 | 111.9° | 109.5° |
| C33 | C35 | H352 | 111.9° | 109.4° |
| H341 | C34 | H342 | 108.8° | 109.5° |
| H341 | C34 | H343 | 108.8° | 109.5° |
| H342 | C34 | H343 | 101.2° | 109.5° |
| C36 | C35 | H351 | 111.9° | 109.5° |
| C36 | C35 | H352 | 111.9° | 109.5° |
| C35 | C36 | C37 | 108.7° | 109.5° |
| C35 | C36 | H361 | 112.5° | 109.5° |
| C35 | C36 | H362 | 112.5° | 109.4° |
| H351 | C35 | H352 | 98.6° | 109.4° |
| C37 | C36 | H361 | 112.6° | 109.5° |
| C37 | C36 | H362 | 112.5° | 109.5° |
| C36 | C37 | C38 | 117.2° | 120.0° |
| C36 | C37 | H37 | 128.6° | 120.0° |
| H361 | C36 | H362 | 97.9° | 109.4° |
| C38 | C37 | H37 | 114.2° | 120.0° |
| C37 | C38 | C39 | 116.6° | 120.0° |
| C37 | C38 | C40 | 121.1° | 120.0° |
| C39 | C38 | C40 | 122.3° | 120.0° |
| C38 | C39 | H391 | 116.7° | 109.6° |
| C38 | C39 | H392 | 109.6° | 109.4° |
| C38 | C39 | H393 | 109.6° | 109.4° |
| C38 | C40 | C41 | 110.0° | 109.5° |
| C38 | C40 | H401 | 112.0° | 109.4° |
| C38 | C40 | H402 | 112.0° | 109.5° |
| H391 | C39 | H392 | 109.6° | 109.5° |
| H391 | C39 | H393 | 109.6° | 109.5° |
| H392 | C39 | H393 | 100.5° | 109.4° |
| C41 | C40 | H401 | 112.0° | 109.4° |
| C41 | C40 | H402 | 112.0° | 109.5° |
| C40 | C41 | C42 | 111.8° | 109.5° |
| C40 | C41 | H411 | 111.3° | 109.5° |
| C40 | C41 | H412 | 111.3° | 109.5° |
| H401 | C40 | H402 | 98.4° | 109.5° |
| C42 | C41 | H411 | 111.3° | 109.4° |
| C42 | C41 | H412 | 111.4° | 109.5° |
| C41 | C42 | C43 | 120.6° | 120.0° |
| C41 | C42 | H42 | 126.3° | 120.0° |
| H411 | C41 | H412 | 99.0° | 109.4° |
| C43 | C42 | H42 | 113.1° | 120.0° |
| C42 | C43 | C44 | 120.5° | 120.0° |
| C42 | C43 | C45 | 120.0° | 120.0° |
| C44 | C43 | C45 | 119.4° | 120.0° |
| C43 | C44 | H441 | 120.5° | 109.5° |
| C43 | C44 | H442 | 108.3° | 109.5° |
| C43 | C44 | H443 | 108.3° | 109.5° |
| C43 | C45 | H451 | 120.0° | 109.5° |
| C43 | C45 | H452 | 108.4° | 109.5° |
| C43 | C45 | H453 | 108.4° | 109.5° |
| H441 | C44 | H442 | 108.2° | 109.5° |
| H441 | C44 | H443 | 108.3° | 109.5° |
| H442 | C44 | H443 | 101.7° | 109.4° |
| H451 | C45 | H452 | 108.4° | 109.5° |
| H451 | C45 | H453 | 108.4° | 109.4° |
| H452 | C45 | H453 | 101.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C10 | 175.1° | 180.0° |
| O1 | C1 | C2 | C2M | 4.9° | 0.0° |
| O1 | C1 | C2 | C3 | 179.4° | 180.0° |
| O1 | C1 | C10 | C5 | 178.9° | 180.0° |
| O1 | C1 | C10 | C9 | 2.6° | 0.0° |
| C1 | C2 | C2M | C3 | 173.9° | 180.0° |
| C1 | C2 | C2M | H2M1 | 180.0° | 0.0° |
| C1 | C2 | C2M | H2M2 | 54.7° | 120.0° |
| C1 | C2 | C2M | H2M3 | 54.7° | 120.0° |
| C1 | C2 | C3 | C4 | 0.6° | 0.3° |
| C1 | C2 | C3 | C11 | 177.5° | 180.0° |
| C2 | C1 | C10 | C5 | 5.6° | 0.0° |
| C2 | C1 | C10 | C9 | 172.9° | 180.0° |
| C10 | C1 | C2 | C2M | 180.0° | 180.0° |
| C10 | C1 | C2 | C3 | 5.5° | 0.0° |
| C1 | C10 | C5 | C4 | 1.1° | 0.2° |
| C1 | C10 | C5 | C6 | 178.7° | 180.0° |
| C1 | C10 | C5 | C9 | 178.4° | 179.9° |
| C1 | C10 | C9 | C8 | 179.3° | 179.9° |
| C1 | C10 | C9 | H9 | 0.8° | 0.1° |
| C2 | C2M | H2M1 | H2M2 | 125.3° | 120.0° |
| C2 | C2M | H2M1 | H2M3 | 125.3° | 120.0° |
| C2 | C2M | H2M2 | H2M3 | 117.5° | 120.0° |
| C2M | C2 | C3 | C4 | 174.0° | 179.7° |
| C2M | C2 | C3 | C11 | 4.0° | 0.0° |
| C3 | C2 | C2M | H2M1 | 6.1° | 180.0° |
| C3 | C2 | C2M | H2M2 | 119.2° | 60.0° |
| C3 | C2 | C2M | H2M3 | 131.3° | 60.0° |
| C2 | C3 | C4 | C11 | 178.5° | 179.7° |
| C2 | C3 | C4 | O4 | 176.3° | 179.7° |
| C2 | C3 | C4 | C5 | 3.9° | 0.5° |
| C2 | C3 | C11 | C12 | 82.0° | 90.0° |
| C2 | C3 | C11 | H111 | 152.8° | 30.0° |
| C2 | C3 | C11 | H112 | 43.3° | 150.0° |
| H2M1 | C2M | H2M2 | H2M3 | 117.4° | 119.9° |
| C3 | C4 | O4 | C5 | 172.3° | 179.8° |
| C3 | C4 | C5 | C6 | 173.8° | 179.8° |
| C3 | C4 | C5 | C10 | 3.8° | 0.5° |
| C4 | C3 | C11 | C12 | 99.8° | 90.3° |
| C4 | C3 | C11 | H111 | 25.5° | 149.7° |
| C4 | C3 | C11 | H112 | 134.9° | 29.7° |
| C11 | C3 | C4 | O4 | 5.2° | 0.0° |
| C11 | C3 | C4 | C5 | 177.6° | 179.8° |
| C3 | C11 | C12 | H111 | 125.3° | 120.0° |
| C3 | C11 | C12 | H112 | 125.2° | 120.0° |
| C3 | C11 | H111 | H112 | 118.9° | 120.0° |
| C3 | C11 | C12 | C13 | 120.4° | 125.6° |
| C3 | C11 | C12 | H12 | 59.6° | 54.5° |
| O4 | C4 | C5 | C6 | 1.8° | 0.1° |
| O4 | C4 | C5 | C10 | 175.7° | 179.7° |
| C4 | C5 | C6 | C10 | 177.6° | 179.7° |
| C4 | C5 | C6 | C7 | 176.7° | 179.7° |
| C4 | C5 | C6 | H6 | 3.3° | 0.3° |
| C4 | C5 | C10 | C9 | 177.4° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 2.0° | 0.0° |
| C5 | C6 | C7 | H7 | 177.9° | 180.0° |
| C6 | C5 | C10 | C9 | 0.3° | 0.0° |
| C10 | C5 | C6 | C7 | 0.9° | 0.0° |
| C10 | C5 | C6 | H6 | 179.1° | 180.0° |
| C5 | C10 | C9 | C8 | 0.8° | 0.0° |
| C5 | C10 | C9 | H9 | 179.2° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 2.5° | 0.0° |
| C6 | C7 | C8 | H8 | 177.5° | 180.0° |
| H6 | C6 | C7 | C8 | 177.9° | 180.0° |
| H6 | C6 | C7 | H7 | 2.1° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.9° | 0.0° |
| C7 | C8 | C9 | H9 | 178.1° | 180.0° |
| H7 | C7 | C8 | C9 | 177.4° | 179.9° |
| H7 | C7 | C8 | H8 | 2.6° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| H8 | C8 | C9 | C10 | 178.1° | 180.0° |
| H8 | C8 | C9 | H9 | 1.9° | 0.0° |
| C12 | C11 | H111 | H112 | 118.9° | 120.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.5° | 4.9° |
| C11 | C12 | C13 | C15 | 177.0° | 175.2° |
| H111 | C11 | C12 | C13 | 4.8° | 114.4° |
| H111 | C11 | C12 | H12 | 175.2° | 65.5° |
| H112 | C11 | C12 | C13 | 114.3° | 5.5° |
| H112 | C11 | C12 | H12 | 65.7° | 174.5° |
| C12 | C13 | C14 | C15 | 178.4° | 179.9° |
| C12 | C13 | C14 | H141 | 180.0° | 174.9° |
| C12 | C13 | C14 | H142 | 54.7° | 65.1° |
| C12 | C13 | C14 | H143 | 54.7° | 54.8° |
| C12 | C13 | C15 | C16 | 110.7° | 90.0° |
| C12 | C13 | C15 | H151 | 14.5° | 30.0° |
| C12 | C13 | C15 | H152 | 124.0° | 150.0° |
| H12 | C12 | C13 | C14 | 178.5° | 175.1° |
| H12 | C12 | C13 | C15 | 3.0° | 4.8° |
| C13 | C14 | H141 | H142 | 125.3° | 119.9° |
| C13 | C14 | H141 | H143 | 125.2° | 120.1° |
| C13 | C14 | H142 | H143 | 113.7° | 120.0° |
| C14 | C13 | C15 | C16 | 67.8° | 90.0° |
| C14 | C13 | C15 | H151 | 167.0° | 149.9° |
| C14 | C13 | C15 | H152 | 57.5° | 29.9° |
| C15 | C13 | C14 | H141 | 1.6° | 5.1° |
| C15 | C13 | C14 | H142 | 126.9° | 114.9° |
| C15 | C13 | C14 | H143 | 123.7° | 125.1° |
| C13 | C15 | C16 | H151 | 125.2° | 120.1° |
| C13 | C15 | C16 | H152 | 125.3° | 120.0° |
| C13 | C15 | H151 | H152 | 116.8° | 120.0° |
| C13 | C15 | C16 | C17 | 58.1° | 180.0° |
| C13 | C15 | C16 | H161 | 176.7° | 60.0° |
| C13 | C15 | C16 | H162 | 67.2° | 60.0° |
| H141 | C14 | H142 | H143 | 113.8° | 120.0° |
| C16 | C15 | H151 | H152 | 116.8° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 118.0° | 120.0° |
| C15 | C16 | C17 | C18 | 126.6° | 125.5° |
| C15 | C16 | C17 | H17 | 53.3° | 54.5° |
| H151 | C15 | C16 | C17 | 67.2° | 60.0° |
| H151 | C15 | C16 | H161 | 58.0° | 180.0° |
| H151 | C15 | C16 | H162 | 167.6° | 60.0° |
| H152 | C15 | C16 | C17 | 176.6° | 60.0° |
| H152 | C15 | C16 | H161 | 51.4° | 60.0° |
| H152 | C15 | C16 | H162 | 58.1° | NaN° |
| C17 | C16 | H161 | H162 | 117.9° | 120.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 2.8° | 5.5° |
| C16 | C17 | C18 | C20 | 179.8° | 174.4° |
| H161 | C16 | C17 | C18 | 1.4° | 114.5° |
| H161 | C16 | C17 | H17 | 178.6° | 65.5° |
| H162 | C16 | C17 | C18 | 108.1° | 5.5° |
| H162 | C16 | C17 | H17 | 71.9° | 174.5° |
| C17 | C18 | C19 | C20 | 177.1° | 180.0° |
| C17 | C18 | C19 | H191 | 180.0° | 54.9° |
| C17 | C18 | C19 | H192 | 54.8° | 175.0° |
| C17 | C18 | C19 | H193 | 54.7° | 65.1° |
| C17 | C18 | C20 | C21 | 111.2° | 90.0° |
| C17 | C18 | C20 | H201 | 14.1° | 30.0° |
| C17 | C18 | C20 | H202 | 123.5° | 149.9° |
| H17 | C17 | C18 | C19 | 177.3° | 174.5° |
| H17 | C17 | C18 | C20 | 0.2° | 5.6° |
| C18 | C19 | H191 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H193 | 125.3° | 120.0° |
| C18 | C19 | H192 | H193 | 113.0° | 120.0° |
| C19 | C18 | C20 | C21 | 66.0° | 90.0° |
| C19 | C18 | C20 | H201 | 168.7° | 150.0° |
| C19 | C18 | C20 | H202 | 59.3° | 30.1° |
| C20 | C18 | C19 | H191 | 3.0° | 125.1° |
| C20 | C18 | C19 | H192 | 128.1° | 5.1° |
| C20 | C18 | C19 | H193 | 122.3° | 114.9° |
| C18 | C20 | C21 | H201 | 125.3° | 120.0° |
| C18 | C20 | C21 | H202 | 125.3° | 120.1° |
| C18 | C20 | H201 | H202 | 118.0° | 120.0° |
| C18 | C20 | C21 | C22 | 77.7° | 180.0° |
| C18 | C20 | C21 | H211 | 157.1° | 60.0° |
| C18 | C20 | C21 | H212 | 47.7° | 60.0° |
| H191 | C19 | H192 | H193 | 113.1° | 120.0° |
| C21 | C20 | H201 | H202 | 117.9° | 120.0° |
| C20 | C21 | C22 | H211 | 125.2° | 120.0° |
| C20 | C21 | C22 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H212 | 116.9° | 119.9° |
| C20 | C21 | C22 | C23 | 155.2° | 124.7° |
| C20 | C21 | C22 | H22 | 24.8° | 55.4° |
| H201 | C20 | C21 | C22 | 47.7° | 60.0° |
| H201 | C20 | C21 | H211 | 77.6° | 180.0° |
| H201 | C20 | C21 | H212 | 173.0° | 60.1° |
| H202 | C20 | C21 | C22 | 157.1° | 59.9° |
| H202 | C20 | C21 | H211 | 31.8° | 60.1° |
| H202 | C20 | C21 | H212 | 77.6° | 180.0° |
| C22 | C21 | H211 | H212 | 117.0° | 120.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.8° | 5.5° |
| C21 | C22 | C23 | C25 | 179.6° | 174.5° |
| H211 | C21 | C22 | C23 | 79.6° | 115.3° |
| H211 | C21 | C22 | H22 | 100.4° | 64.6° |
| H212 | C21 | C22 | C23 | 29.9° | 4.7° |
| H212 | C21 | C22 | H22 | 150.1° | 175.4° |
| C22 | C23 | C24 | C25 | 179.6° | 180.0° |
| C22 | C23 | C24 | H241 | 179.9° | 64.9° |
| C22 | C23 | C24 | H242 | 54.7° | 175.1° |
| C22 | C23 | C24 | H243 | 54.7° | 55.1° |
| C22 | C23 | C25 | C26 | 97.7° | 90.0° |
| C22 | C23 | C25 | H251 | 137.0° | 30.0° |
| C22 | C23 | C25 | H252 | 27.5° | 150.1° |
| H22 | C22 | C23 | C24 | 179.2° | 174.5° |
| H22 | C22 | C23 | C25 | 0.5° | 5.4° |
| C23 | C24 | H241 | H242 | 125.3° | 120.1° |
| C23 | C24 | H241 | H243 | 125.3° | 120.0° |
| C23 | C24 | H242 | H243 | 114.5° | 120.0° |
| C24 | C23 | C25 | C26 | 81.8° | 90.0° |
| C24 | C23 | C25 | H251 | 43.4° | 150.0° |
| C24 | C23 | C25 | H252 | 153.0° | 30.0° |
| C25 | C23 | C24 | H241 | 0.3° | 115.1° |
| C25 | C23 | C24 | H242 | 124.9° | 4.9° |
| C25 | C23 | C24 | H243 | 125.7° | 124.9° |
| C23 | C25 | C26 | H251 | 125.3° | 120.0° |
| C23 | C25 | C26 | H252 | 125.2° | 120.0° |
| C23 | C25 | H251 | H252 | 118.5° | 120.0° |
| C23 | C25 | C26 | C27 | 174.9° | 180.0° |
| C23 | C25 | C26 | H261 | 49.6° | 60.0° |
| C23 | C25 | C26 | H262 | 59.8° | 60.0° |
| H241 | C24 | H242 | H243 | 114.5° | 120.0° |
| C26 | C25 | H251 | H252 | 118.5° | 119.9° |
| C25 | C26 | C27 | H261 | 125.3° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 119.3° | 120.0° |
| C25 | C26 | C27 | C28 | 165.5° | 124.7° |
| C25 | C26 | C27 | H27 | 14.5° | 55.3° |
| H251 | C25 | C26 | C27 | 59.9° | 60.0° |
| H251 | C25 | C26 | H261 | 174.8° | 180.0° |
| H251 | C25 | C26 | H262 | 65.4° | 60.0° |
| H252 | C25 | C26 | C27 | 49.6° | 60.0° |
| H252 | C25 | C26 | H261 | 75.6° | 60.0° |
| H252 | C25 | C26 | H262 | 175.0° | 180.0° |
| C27 | C26 | H261 | H262 | 119.3° | 120.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 2.0° | 5.0° |
| C26 | C27 | C28 | C30 | 176.9° | 175.0° |
| H261 | C26 | C27 | C28 | 40.2° | 115.3° |
| H261 | C26 | C27 | H27 | 139.8° | 64.7° |
| H262 | C26 | C27 | C28 | 69.2° | 4.7° |
| H262 | C26 | C27 | H27 | 110.8° | 175.3° |
| C27 | C28 | C29 | C30 | 178.9° | 180.0° |
| C27 | C28 | C29 | H291 | 180.0° | 64.1° |
| C27 | C28 | C29 | H292 | 54.7° | 176.0° |
| C27 | C28 | C29 | H293 | 54.7° | 55.9° |
| C27 | C28 | C30 | C31 | 125.9° | 90.0° |
| C27 | C28 | C30 | H301 | 0.6° | 30.1° |
| C27 | C28 | C30 | H302 | 108.9° | 150.0° |
| H27 | C27 | C28 | C29 | 178.0° | 175.0° |
| H27 | C27 | C28 | C30 | 3.1° | 5.1° |
| C28 | C29 | H291 | H292 | 125.3° | 120.0° |
| C28 | C29 | H291 | H293 | 125.3° | 120.0° |
| C28 | C29 | H292 | H293 | 113.4° | 120.0° |
| C29 | C28 | C30 | C31 | 55.1° | 90.0° |
| C29 | C28 | C30 | H301 | 179.6° | 150.0° |
| C29 | C28 | C30 | H302 | 70.1° | 30.1° |
| C30 | C28 | C29 | H291 | 1.1° | 116.0° |
| C30 | C28 | C29 | H292 | 124.2° | 4.0° |
| C30 | C28 | C29 | H293 | 126.3° | 124.0° |
| C28 | C30 | C31 | H301 | 125.3° | 120.0° |
| C28 | C30 | C31 | H302 | 125.2° | 120.1° |
| C28 | C30 | H301 | H302 | 117.6° | 120.0° |
| C28 | C30 | C31 | C32 | 176.9° | 180.0° |
| C28 | C30 | C31 | H311 | 51.7° | 60.0° |
| C28 | C30 | C31 | H312 | 57.8° | 59.9° |
| H291 | C29 | H292 | H293 | 113.3° | 120.0° |
| C31 | C30 | H301 | H302 | 117.6° | 120.0° |
| C30 | C31 | C32 | H311 | 125.3° | 120.0° |
| C30 | C31 | C32 | H312 | 125.3° | 120.0° |
| C30 | C31 | H311 | H312 | 120.7° | 119.9° |
| C30 | C31 | C32 | C33 | 134.7° | 125.3° |
| C30 | C31 | C32 | H32 | 45.3° | 54.7° |
| H301 | C30 | C31 | C32 | 57.8° | 60.0° |
| H301 | C30 | C31 | H311 | 176.9° | 180.0° |
| H301 | C30 | C31 | H312 | 67.5° | 60.1° |
| H302 | C30 | C31 | C32 | 51.7° | 60.0° |
| H302 | C30 | C31 | H311 | 73.5° | 60.1° |
| H302 | C30 | C31 | H312 | 177.0° | 180.0° |
| C32 | C31 | H311 | H312 | 120.7° | 120.1° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 4.3° | 5.0° |
| C31 | C32 | C33 | C35 | 179.7° | 175.0° |
| H311 | C31 | C32 | C33 | 9.5° | 114.7° |
| H311 | C31 | C32 | H32 | 170.5° | 65.3° |
| H312 | C31 | C32 | C33 | 100.0° | 5.3° |
| H312 | C31 | C32 | H32 | 80.0° | 174.7° |
| C32 | C33 | C34 | C35 | 175.9° | 179.9° |
| C32 | C33 | C34 | H341 | 180.0° | 63.9° |
| C32 | C33 | C34 | H342 | 54.7° | 176.1° |
| C32 | C33 | C34 | H343 | 54.7° | 56.1° |
| C32 | C33 | C35 | C36 | 125.5° | 90.0° |
| C32 | C33 | C35 | H351 | 109.2° | 30.1° |
| C32 | C33 | C35 | H352 | 0.3° | 150.0° |
| H32 | C32 | C33 | C34 | 175.7° | 175.0° |
| H32 | C32 | C33 | C35 | 0.3° | 5.1° |
| C33 | C34 | H341 | H342 | 125.3° | 119.9° |
| C33 | C34 | H341 | H343 | 125.3° | 120.0° |
| C33 | C34 | H342 | H343 | 114.6° | 120.0° |
| C34 | C33 | C35 | C36 | 58.6° | 90.0° |
| C34 | C33 | C35 | H351 | 66.7° | 150.0° |
| C34 | C33 | C35 | H352 | 176.2° | 30.0° |
| C35 | C33 | C34 | H341 | 4.1° | 116.2° |
| C35 | C33 | C34 | H342 | 129.4° | 3.8° |
| C35 | C33 | C34 | H343 | 121.2° | 123.8° |
| C33 | C35 | C36 | H351 | 125.2° | 120.1° |
| C33 | C35 | C36 | H352 | 125.2° | 120.0° |
| C33 | C35 | H351 | H352 | 117.8° | 120.0° |
| C33 | C35 | C36 | C37 | 176.4° | 180.0° |
| C33 | C35 | C36 | H361 | 58.3° | 59.9° |
| C33 | C35 | C36 | H362 | 51.1° | 60.0° |
| H341 | C34 | H342 | H343 | 114.5° | 120.1° |
| C36 | C35 | H351 | H352 | 117.8° | 120.0° |
| C35 | C36 | C37 | H361 | 125.3° | 120.0° |
| C35 | C36 | C37 | H362 | 125.2° | 120.0° |
| C35 | C36 | H361 | H362 | 118.4° | 119.9° |
| C35 | C36 | C37 | C38 | 168.6° | 125.4° |
| C35 | C36 | C37 | H37 | 11.3° | 54.6° |
| H351 | C35 | C36 | C37 | 51.1° | 59.9° |
| H351 | C35 | C36 | H361 | 176.5° | 180.0° |
| H351 | C35 | C36 | H362 | 74.1° | 60.1° |
| H352 | C35 | C36 | C37 | 58.4° | 60.0° |
| H352 | C35 | C36 | H361 | 66.9° | 60.0° |
| H352 | C35 | C36 | H362 | 176.3° | 180.0° |
| C37 | C36 | H361 | H362 | 118.4° | 120.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.8° | 5.6° |
| C36 | C37 | C38 | C40 | 178.0° | 174.5° |
| H361 | C36 | C37 | C38 | 66.1° | 114.5° |
| H361 | C36 | C37 | H37 | 114.0° | 65.4° |
| H362 | C36 | C37 | C38 | 43.4° | 5.4° |
| H362 | C36 | C37 | H37 | 136.6° | 174.6° |
| C37 | C38 | C39 | C40 | 178.8° | 180.0° |
| C37 | C38 | C39 | H391 | 180.0° | 54.9° |
| C37 | C38 | C39 | H392 | 54.7° | 175.0° |
| C37 | C38 | C39 | H393 | 54.7° | 65.1° |
| C37 | C38 | C40 | C41 | 57.2° | 90.0° |
| C37 | C38 | C40 | H401 | 68.1° | 30.0° |
| C37 | C38 | C40 | H402 | 177.5° | 150.0° |
| H37 | C37 | C38 | C39 | 179.2° | 174.4° |
| H37 | C37 | C38 | C40 | 1.9° | 5.6° |
| C38 | C39 | H391 | H392 | 125.3° | 120.0° |
| C38 | C39 | H391 | H393 | 125.3° | 120.0° |
| C38 | C39 | H392 | H393 | 115.4° | 119.9° |
| C39 | C38 | C40 | C41 | 121.5° | 90.1° |
| C39 | C38 | C40 | H401 | 113.2° | 150.0° |
| C39 | C38 | C40 | H402 | 3.7° | 30.0° |
| C40 | C38 | C39 | H391 | 1.2° | 125.1° |
| C40 | C38 | C39 | H392 | 126.5° | 5.0° |
| C40 | C38 | C39 | H393 | 124.1° | 114.9° |
| C38 | C40 | C41 | H401 | 125.3° | 120.0° |
| C38 | C40 | C41 | H402 | 125.2° | 120.0° |
| C38 | C40 | H401 | H402 | 117.9° | 120.0° |
| C38 | C40 | C41 | C42 | 178.3° | 180.0° |
| C38 | C40 | C41 | H411 | 56.4° | 60.0° |
| C38 | C40 | C41 | H412 | 53.0° | 59.9° |
| H391 | C39 | H392 | H393 | 115.3° | 120.0° |
| C41 | C40 | H401 | H402 | 118.0° | 120.0° |
| C40 | C41 | C42 | H411 | 125.2° | 120.0° |
| C40 | C41 | C42 | H412 | 125.3° | 120.0° |
| C40 | C41 | H411 | H412 | 117.2° | 120.0° |
| C40 | C41 | C42 | C43 | 148.8° | 125.5° |
| C40 | C41 | C42 | H42 | 31.1° | 54.5° |
| H401 | C40 | C41 | C42 | 53.0° | 60.0° |
| H401 | C40 | C41 | H411 | 178.3° | 180.0° |
| H401 | C40 | C41 | H412 | 72.2° | 60.0° |
| H402 | C40 | C41 | C42 | 56.5° | 60.0° |
| H402 | C40 | C41 | H411 | 68.8° | 60.0° |
| H402 | C40 | C41 | H412 | 178.3° | 180.0° |
| C42 | C41 | H411 | H412 | 117.3° | 120.0° |
| C41 | C42 | C43 | H42 | 179.9° | 180.0° |
| C41 | C42 | C43 | C44 | 18.2° | 174.4° |
| C41 | C42 | C43 | C45 | 161.8° | 5.5° |
| H411 | C41 | C42 | C43 | 23.6° | 114.5° |
| H411 | C41 | C42 | H42 | 156.4° | 65.5° |
| H412 | C41 | C42 | C43 | 85.9° | 5.5° |
| H412 | C41 | C42 | H42 | 94.1° | 174.6° |
| C42 | C43 | C44 | C45 | 180.0° | 180.0° |
| C42 | C43 | C44 | H441 | 180.0° | 180.0° |
| C42 | C43 | C44 | H442 | 54.8° | 60.0° |
| C42 | C43 | C44 | H443 | 54.7° | 60.0° |
| C42 | C43 | C45 | H451 | 180.0° | 54.9° |
| C42 | C43 | C45 | H452 | 54.7° | 174.9° |
| C42 | C43 | C45 | H453 | 54.8° | 65.0° |
| H42 | C42 | C43 | C44 | 161.8° | 5.6° |
| H42 | C42 | C43 | C45 | 18.2° | 174.4° |
| C43 | C44 | H441 | H442 | 125.2° | 120.0° |
| C43 | C44 | H441 | H443 | 125.3° | 120.0° |
| C43 | C44 | H442 | H443 | 113.9° | 120.0° |
| C44 | C43 | C45 | H451 | 0.0° | 125.1° |
| C44 | C43 | C45 | H452 | 125.3° | 5.1° |
| C44 | C43 | C45 | H453 | 125.2° | 115.0° |
| C45 | C43 | C44 | H441 | 0.0° | 0.0° |
| C45 | C43 | C44 | H442 | 125.2° | 120.0° |
| C45 | C43 | C44 | H443 | 125.3° | 120.0° |
| C43 | C45 | H451 | H452 | 125.3° | 120.0° |
| C43 | C45 | H451 | H453 | 125.2° | 120.0° |
| C43 | C45 | H452 | H453 | 114.1° | 120.0° |
| H441 | C44 | H442 | H443 | 113.9° | 120.0° |
| H451 | C45 | H452 | H453 | 114.1° | 120.0° |
