BQ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C35 | sing | 1.89Å | 1.92Å | |
| O02 | C06 | sing | 1.43Å | 1.46Å | |
| O03 | C17 | sing | 1.36Å | 1.42Å | |
| O03 | C37 | sing | 1.43Å | 1.45Å | |
| N04 | C11 | sing | 1.47Å | 1.47Å | |
| N04 | C25 | sing | 1.47Å | 1.45Å | |
| N04 | C26 | sing | 1.47Å | 1.43Å | |
| N05 | C17 | doub | 1.32Å | 1.37Å | Aromatic |
| N05 | C24 | sing | 1.34Å | 1.36Å | Aromatic |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C06 | C08 | sing | 1.53Å | 1.52Å | |
| C06 | C09 | sing | 1.51Å | 1.56Å | |
| C07 | C10 | sing | 1.51Å | 1.53Å | |
| C07 | C12 | sing | 1.51Å | 1.52Å | |
| C08 | C11 | sing | 1.53Å | 1.55Å | |
| C09 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C09 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C10 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C10 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C16 | doub | 1.42Å | 1.42Å | Aromatic |
| C13 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C22 | sing | 1.41Å | 1.37Å | Aromatic |
| C16 | C23 | sing | 1.41Å | 1.38Å | Aromatic |
| C16 | C27 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C23 | doub | 1.36Å | 1.40Å | Aromatic |
| C21 | C30 | doub | 1.36Å | 1.41Å | Aromatic |
| C22 | C24 | sing | 1.42Å | 1.39Å | Aromatic |
| C22 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C34 | doub | 1.40Å | 1.42Å | Aromatic |
| C27 | C32 | doub | 1.36Å | 1.38Å | Aromatic |
| C28 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C35 | sing | 1.36Å | 1.42Å | Aromatic |
| C34 | C36 | sing | 1.36Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| O02 | H02 | sing | 0.97Å | 0.95Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C35 | C33 | 119.9° | 119.6° |
| BR | C35 | C36 | 119.5° | 119.6° |
| O02 | C06 | C07 | 111.0° | 109.5° |
| O02 | C06 | C08 | 104.8° | 109.5° |
| O02 | C06 | C09 | 106.5° | 109.4° |
| C06 | O02 | H02 | 109.5° | 114.0° |
| C17 | O03 | C37 | 114.1° | 117.0° |
| O03 | C17 | N05 | 119.0° | 119.2° |
| O03 | C17 | C10 | 120.3° | 119.2° |
| O03 | C37 | H371 | 109.5° | 109.5° |
| O03 | C37 | H372 | 109.5° | 109.5° |
| O03 | C37 | H373 | 109.5° | 109.5° |
| C11 | N04 | C25 | 110.4° | 111.0° |
| C11 | N04 | C26 | 109.3° | 111.1° |
| N04 | C11 | C08 | 108.8° | 109.5° |
| N04 | C11 | H111 | 109.6° | 109.5° |
| N04 | C11 | H112 | 109.7° | 109.5° |
| C25 | N04 | C26 | 110.1° | 111.0° |
| N04 | C25 | H251 | 109.5° | 109.5° |
| N04 | C25 | H252 | 109.5° | 109.5° |
| N04 | C25 | H253 | 109.5° | 109.4° |
| N04 | C26 | H261 | 109.5° | 109.5° |
| N04 | C26 | H262 | 109.5° | 109.5° |
| N04 | C26 | H263 | 109.5° | 109.5° |
| C17 | N05 | C24 | 119.9° | 121.2° |
| N05 | C17 | C10 | 120.7° | 121.6° |
| N05 | C24 | C22 | 120.2° | 119.9° |
| N05 | C24 | C34 | 119.3° | 121.0° |
| C07 | C06 | C08 | 109.2° | 109.5° |
| C07 | C06 | C09 | 114.1° | 109.5° |
| C06 | C07 | C10 | 110.5° | 109.5° |
| C06 | C07 | C12 | 115.3° | 109.5° |
| C06 | C07 | H07 | 106.1° | 109.5° |
| C08 | C06 | C09 | 110.9° | 109.5° |
| C06 | C08 | C11 | 112.1° | 109.5° |
| C06 | C08 | H081 | 108.8° | 109.5° |
| C06 | C08 | H082 | 108.8° | 109.5° |
| C06 | C09 | C13 | 125.7° | 120.2° |
| C06 | C09 | C14 | 115.3° | 120.2° |
| C10 | C07 | C12 | 111.5° | 109.5° |
| C07 | C10 | C15 | 121.9° | 120.1° |
| C07 | C10 | C17 | 119.2° | 120.1° |
| C10 | C07 | H07 | 106.4° | 109.5° |
| C07 | C12 | C18 | 117.9° | 120.0° |
| C07 | C12 | C19 | 122.7° | 120.0° |
| C12 | C07 | H07 | 106.5° | 109.5° |
| C08 | C11 | H111 | 109.6° | 109.5° |
| C08 | C11 | H112 | 109.6° | 109.4° |
| C11 | C08 | H081 | 108.8° | 109.5° |
| C11 | C08 | H082 | 108.8° | 109.5° |
| C13 | C09 | C14 | 119.0° | 119.7° |
| C09 | C13 | C16 | 119.2° | 119.4° |
| C09 | C13 | C21 | 122.5° | 121.3° |
| C09 | C14 | C20 | 121.3° | 121.0° |
| C09 | C14 | H14 | 119.3° | 119.5° |
| C15 | C10 | C17 | 118.9° | 119.9° |
| C10 | C15 | C22 | 120.1° | 118.3° |
| C10 | C15 | H15 | 119.9° | 120.8° |
| C18 | C12 | C19 | 119.4° | 120.0° |
| C12 | C18 | C28 | 120.7° | 120.0° |
| C12 | C18 | H18 | 119.6° | 120.0° |
| C12 | C19 | C29 | 119.8° | 120.0° |
| C12 | C19 | H19 | 120.1° | 120.0° |
| C16 | C13 | C21 | 118.3° | 119.3° |
| C13 | C16 | C23 | 120.9° | 119.3° |
| C13 | C16 | C27 | 120.6° | 119.4° |
| C13 | C21 | C30 | 121.3° | 119.6° |
| C13 | C21 | H21 | 119.4° | 120.1° |
| C14 | C20 | C23 | 119.9° | 121.0° |
| C20 | C14 | H14 | 119.4° | 119.5° |
| C14 | C20 | H20 | 120.0° | 119.5° |
| C15 | C22 | C24 | 120.2° | 119.1° |
| C15 | C22 | C33 | 120.4° | 121.3° |
| C22 | C15 | H15 | 119.9° | 120.9° |
| C23 | C16 | C27 | 118.6° | 121.3° |
| C16 | C23 | C20 | 119.8° | 119.7° |
| C16 | C23 | H23 | 120.1° | 120.1° |
| C16 | C27 | C32 | 120.5° | 119.7° |
| C16 | C27 | H27 | 119.8° | 120.2° |
| C18 | C28 | C31 | 119.6° | 120.0° |
| C28 | C18 | H18 | 119.6° | 120.0° |
| C18 | C28 | H28 | 120.2° | 120.0° |
| C19 | C29 | C31 | 120.6° | 120.0° |
| C29 | C19 | H19 | 120.1° | 120.0° |
| C19 | C29 | H29 | 119.7° | 120.1° |
| C23 | C20 | H20 | 120.1° | 119.5° |
| C20 | C23 | H23 | 120.1° | 120.2° |
| C21 | C30 | C32 | 119.6° | 121.0° |
| C30 | C21 | H21 | 119.4° | 120.2° |
| C21 | C30 | H30 | 120.2° | 119.5° |
| C24 | C22 | C33 | 119.4° | 119.7° |
| C22 | C24 | C34 | 120.5° | 119.1° |
| C22 | C33 | C35 | 120.0° | 119.6° |
| C22 | C33 | H33 | 120.0° | 120.2° |
| C24 | C34 | C36 | 119.6° | 119.8° |
| C24 | C34 | H34 | 120.2° | 120.1° |
| C27 | C32 | C30 | 119.7° | 120.9° |
| C32 | C27 | H27 | 119.7° | 120.2° |
| C27 | C32 | H32 | 120.1° | 119.5° |
| C28 | C31 | C29 | 119.9° | 120.0° |
| C31 | C28 | H28 | 120.2° | 119.9° |
| C28 | C31 | H31 | 120.1° | 120.1° |
| C31 | C29 | H29 | 119.7° | 119.9° |
| C29 | C31 | H31 | 120.0° | 120.0° |
| C32 | C30 | H30 | 120.2° | 119.5° |
| C30 | C32 | H32 | 120.1° | 119.5° |
| C33 | C35 | C36 | 120.6° | 120.8° |
| C35 | C33 | H33 | 120.0° | 120.1° |
| C34 | C36 | C35 | 119.9° | 121.0° |
| C36 | C34 | H34 | 120.2° | 120.1° |
| C34 | C36 | H36 | 120.0° | 119.5° |
| C35 | C36 | H36 | 120.0° | 119.4° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.4° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.4° | 109.4° |
| H081 | C08 | H082 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C35 | C33 | C22 | 179.8° | 180.0° |
| BR | C35 | C33 | C36 | 179.7° | 180.0° |
| BR | C35 | C36 | C34 | 180.0° | 180.0° |
| BR | C35 | C33 | H33 | 0.2° | 0.0° |
| BR | C35 | C36 | H36 | 0.0° | 0.1° |
| O02 | C06 | C07 | C08 | 115.0° | 120.0° |
| O02 | C06 | C07 | C09 | 120.3° | 120.0° |
| O02 | C06 | C08 | C09 | 114.5° | 120.0° |
| O02 | C06 | C07 | C10 | 46.9° | 65.8° |
| O02 | C06 | C07 | C12 | 80.7° | 54.2° |
| O02 | C06 | C08 | C11 | 61.0° | 61.0° |
| O02 | C06 | C09 | C13 | 176.0° | 179.7° |
| O02 | C06 | C09 | C14 | 3.3° | 0.5° |
| O02 | C06 | C07 | H07 | 161.8° | 174.2° |
| O02 | C06 | C08 | H081 | 59.4° | 59.0° |
| O02 | C06 | C08 | H082 | 178.6° | 179.0° |
| O03 | C17 | N05 | C10 | 179.2° | 179.9° |
| O03 | C17 | N05 | C24 | 179.7° | 179.9° |
| O03 | C17 | C10 | C07 | 0.3° | 0.1° |
| O03 | C17 | C10 | C15 | 179.9° | 180.0° |
| C17 | O03 | C37 | H371 | 180.0° | 180.0° |
| C17 | O03 | C37 | H372 | 60.0° | 59.9° |
| C17 | O03 | C37 | H373 | 60.0° | 60.0° |
| C37 | O03 | C17 | N05 | 10.6° | 0.1° |
| C37 | O03 | C17 | C10 | 168.6° | 180.0° |
| O03 | C37 | H371 | H372 | 120.0° | 120.0° |
| O03 | C37 | H371 | H373 | 120.0° | 120.0° |
| O03 | C37 | H372 | H373 | 120.0° | 120.0° |
| C11 | N04 | C25 | C26 | 120.7° | 124.0° |
| N04 | C11 | C08 | C06 | 162.5° | 174.8° |
| N04 | C11 | C08 | H111 | 119.9° | 120.0° |
| N04 | C11 | C08 | H112 | 119.9° | 120.0° |
| N04 | C11 | H111 | H112 | 120.3° | 120.0° |
| C11 | N04 | C25 | H251 | 180.0° | 60.0° |
| C11 | N04 | C25 | H252 | 60.0° | 180.0° |
| C11 | N04 | C25 | H253 | 60.0° | 60.0° |
| C11 | N04 | C26 | H261 | 180.0° | 60.0° |
| C11 | N04 | C26 | H262 | 60.0° | 180.0° |
| C11 | N04 | C26 | H263 | 60.0° | 60.0° |
| N04 | C11 | C08 | H081 | 42.1° | 65.2° |
| N04 | C11 | C08 | H082 | 77.1° | 54.7° |
| C25 | N04 | C11 | C08 | 169.5° | 170.0° |
| C25 | N04 | C11 | H111 | 49.6° | 70.0° |
| C25 | N04 | C11 | H112 | 70.6° | 50.0° |
| N04 | C25 | H251 | H252 | 120.0° | 120.0° |
| N04 | C25 | H251 | H253 | 120.0° | 120.0° |
| N04 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | N04 | C26 | H261 | 58.6° | 176.1° |
| C25 | N04 | C26 | H262 | 178.6° | 56.0° |
| C25 | N04 | C26 | H263 | 61.4° | 64.0° |
| C26 | N04 | C11 | C08 | 69.2° | 66.0° |
| C26 | N04 | C11 | H111 | 170.9° | 53.9° |
| C26 | N04 | C11 | H112 | 50.7° | 174.0° |
| C26 | N04 | C25 | H251 | 59.3° | 64.0° |
| C26 | N04 | C25 | H252 | 60.8° | 56.0° |
| C26 | N04 | C25 | H253 | 179.3° | 176.0° |
| N04 | C26 | H261 | H262 | 120.0° | 120.1° |
| N04 | C26 | H261 | H263 | 120.0° | 120.0° |
| N04 | C26 | H262 | H263 | 120.0° | 120.0° |
| N05 | C17 | C10 | C07 | 178.9° | 180.0° |
| N05 | C17 | C10 | C15 | 0.7° | 0.1° |
| C17 | N05 | C24 | C22 | 0.2° | 0.0° |
| C17 | N05 | C24 | C34 | 179.6° | 180.0° |
| C24 | N05 | C17 | C10 | 0.5° | 0.0° |
| N05 | C24 | C22 | C15 | 0.1° | 0.1° |
| N05 | C24 | C22 | C34 | 179.8° | 179.9° |
| N05 | C24 | C22 | C33 | 179.9° | 180.0° |
| N05 | C24 | C34 | C36 | 179.8° | 180.0° |
| N05 | C24 | C34 | H34 | 0.1° | 0.1° |
| C07 | C06 | C08 | C09 | 126.5° | 120.0° |
| C06 | C07 | C10 | C12 | 129.6° | 120.0° |
| C06 | C07 | C10 | H07 | 114.7° | 120.0° |
| C06 | C07 | C12 | H07 | 117.3° | 120.0° |
| C07 | C06 | C08 | C11 | 179.9° | 179.0° |
| C07 | C06 | C09 | C13 | 61.2° | 60.3° |
| C07 | C06 | C09 | C14 | 119.6° | 119.5° |
| C06 | C07 | C10 | C15 | 84.8° | 50.8° |
| C06 | C07 | C10 | C17 | 94.8° | 129.2° |
| C06 | C07 | C12 | C18 | 136.8° | 118.5° |
| C06 | C07 | C12 | C19 | 43.9° | 61.9° |
| C07 | C06 | O02 | H02 | 180.0° | 70.3° |
| C07 | C06 | C08 | H081 | 59.5° | 61.0° |
| C07 | C06 | C08 | H082 | 59.7° | 59.0° |
| C08 | C06 | C07 | C10 | 68.1° | 54.2° |
| C08 | C06 | C07 | C12 | 164.3° | 174.3° |
| C06 | C08 | C11 | H081 | 120.4° | 120.0° |
| C06 | C08 | C11 | H082 | 120.4° | 120.1° |
| C08 | C06 | C09 | C13 | 62.6° | 59.7° |
| C08 | C06 | C09 | C14 | 116.7° | 120.5° |
| C08 | C06 | O02 | H02 | 62.3° | 169.7° |
| C06 | C08 | C11 | H111 | 42.6° | 65.3° |
| C06 | C08 | C11 | H112 | 77.6° | 54.8° |
| C08 | C06 | C07 | H07 | 46.8° | 65.8° |
| C06 | C08 | H081 | H082 | 118.8° | 120.0° |
| C09 | C06 | C07 | C10 | 167.2° | 174.2° |
| C09 | C06 | C07 | C12 | 39.7° | 65.7° |
| C09 | C06 | C08 | C11 | 53.6° | 59.0° |
| C06 | C09 | C13 | C14 | 179.2° | 179.7° |
| C06 | C09 | C13 | C16 | 179.6° | 180.0° |
| C06 | C09 | C13 | C21 | 0.4° | 0.0° |
| C06 | C09 | C14 | C20 | 179.9° | 180.0° |
| C09 | C06 | O02 | H02 | 55.3° | 49.7° |
| C09 | C06 | C07 | H07 | 77.9° | 54.2° |
| C09 | C06 | C08 | H081 | 174.0° | 179.0° |
| C09 | C06 | C08 | H082 | 66.8° | 61.0° |
| C06 | C09 | C14 | H14 | 0.2° | 0.0° |
| C10 | C07 | C12 | H07 | 115.6° | 120.0° |
| C07 | C10 | C15 | C17 | 179.6° | 180.0° |
| C10 | C07 | C12 | C18 | 96.1° | 121.5° |
| C10 | C07 | C12 | C19 | 83.2° | 58.2° |
| C07 | C10 | C15 | C22 | 179.0° | 180.0° |
| C07 | C10 | C15 | H15 | 1.0° | 0.0° |
| C12 | C07 | C10 | C15 | 44.8° | 69.3° |
| C12 | C07 | C10 | C17 | 135.6° | 110.8° |
| C07 | C12 | C18 | C19 | 179.3° | 179.7° |
| C07 | C12 | C18 | C28 | 179.8° | 180.0° |
| C07 | C12 | C19 | C29 | 179.7° | 180.0° |
| C07 | C12 | C18 | H18 | 0.2° | 0.1° |
| C07 | C12 | C19 | H19 | 0.3° | 0.0° |
| C08 | C11 | H111 | H112 | 120.3° | 120.0° |
| C11 | C08 | H081 | H082 | 118.8° | 120.0° |
| C09 | C13 | C16 | C21 | 180.0° | 179.9° |
| C13 | C09 | C14 | C20 | 0.5° | 0.3° |
| C09 | C13 | C16 | C23 | 0.2° | 0.1° |
| C09 | C13 | C16 | C27 | 179.5° | 180.0° |
| C09 | C13 | C21 | C30 | 179.7° | 179.9° |
| C13 | C09 | C14 | H14 | 179.5° | 179.7° |
| C09 | C13 | C21 | H21 | 0.3° | 0.0° |
| C14 | C09 | C13 | C16 | 0.4° | 0.3° |
| C14 | C09 | C13 | C21 | 179.6° | 179.8° |
| C09 | C14 | C20 | H14 | 180.0° | 180.0° |
| C09 | C14 | C20 | C23 | 0.2° | 0.1° |
| C09 | C14 | C20 | H20 | 179.8° | 179.9° |
| C10 | C15 | C22 | H15 | 180.0° | 180.0° |
| C10 | C15 | C22 | C24 | 0.2° | 0.0° |
| C10 | C15 | C22 | C33 | 179.9° | 179.9° |
| C15 | C10 | C07 | H07 | 160.5° | 170.8° |
| C17 | C10 | C15 | C22 | 0.5° | 0.0° |
| C17 | C10 | C07 | H07 | 19.9° | 9.2° |
| C17 | C10 | C15 | H15 | 179.5° | 179.9° |
| C12 | C18 | C28 | H18 | 180.0° | 179.9° |
| C18 | C12 | C19 | C29 | 0.4° | 0.3° |
| C12 | C18 | C28 | C31 | 0.2° | 0.1° |
| C18 | C12 | C07 | H07 | 19.5° | 1.5° |
| C18 | C12 | C19 | H19 | 179.5° | 179.7° |
| C12 | C18 | C28 | H28 | 179.8° | 179.9° |
| C19 | C12 | C18 | C28 | 0.5° | 0.3° |
| C12 | C19 | C29 | H19 | 180.0° | 180.0° |
| C12 | C19 | C29 | C31 | 0.2° | 0.0° |
| C19 | C12 | C07 | H07 | 161.2° | 178.1° |
| C19 | C12 | C18 | H18 | 179.6° | 179.8° |
| C12 | C19 | C29 | H29 | 179.8° | 180.0° |
| C13 | C16 | C23 | C27 | 179.4° | 179.9° |
| C13 | C16 | C23 | C20 | 0.6° | 0.2° |
| C16 | C13 | C21 | C30 | 0.4° | 0.0° |
| C13 | C16 | C27 | C32 | 0.5° | 0.1° |
| C16 | C13 | C21 | H21 | 179.7° | 179.9° |
| C13 | C16 | C23 | H23 | 179.4° | 180.0° |
| C13 | C16 | C27 | H27 | 179.5° | 180.0° |
| C21 | C13 | C16 | C23 | 179.8° | 180.0° |
| C21 | C13 | C16 | C27 | 0.5° | 0.1° |
| C13 | C21 | C30 | H21 | 180.0° | 179.9° |
| C13 | C21 | C30 | C32 | 0.3° | 0.1° |
| C13 | C21 | C30 | H30 | 179.7° | 180.0° |
| C14 | C20 | C23 | C16 | 0.4° | 0.3° |
| C14 | C20 | C23 | H20 | 180.0° | 180.0° |
| C14 | C20 | C23 | H23 | 179.6° | 179.9° |
| C15 | C22 | C24 | C33 | 179.9° | 179.9° |
| C15 | C22 | C24 | C34 | 179.7° | 180.0° |
| C15 | C22 | C33 | C35 | 179.9° | 179.9° |
| C15 | C22 | C33 | H33 | 0.1° | 0.0° |
| C16 | C23 | C20 | H23 | 180.0° | 179.8° |
| C23 | C16 | C27 | C32 | 179.9° | 180.0° |
| C16 | C23 | C20 | H20 | 179.6° | 179.7° |
| C23 | C16 | C27 | H27 | 0.1° | 0.0° |
| C27 | C16 | C23 | C20 | 179.9° | 179.7° |
| C16 | C27 | C32 | H27 | 180.0° | 180.0° |
| C16 | C27 | C32 | C30 | 0.4° | 0.0° |
| C27 | C16 | C23 | H23 | 0.0° | 0.1° |
| C16 | C27 | C32 | H32 | 179.6° | 180.0° |
| C18 | C28 | C31 | H28 | 180.0° | 180.0° |
| C18 | C28 | C31 | C29 | 0.0° | 0.2° |
| C18 | C28 | C31 | H31 | 180.0° | 180.0° |
| C19 | C29 | C31 | C28 | 0.0° | 0.3° |
| C19 | C29 | C31 | H29 | 180.0° | 180.0° |
| C19 | C29 | C31 | H31 | 180.0° | 180.0° |
| C23 | C20 | C14 | H14 | 179.9° | 180.0° |
| C21 | C30 | C32 | C27 | 0.3° | 0.1° |
| C21 | C30 | C32 | H30 | 180.0° | 179.9° |
| C21 | C30 | C32 | H32 | 179.7° | 180.0° |
| C24 | C22 | C33 | C35 | 0.0° | 0.0° |
| C22 | C24 | C34 | C36 | 0.4° | 0.1° |
| C24 | C22 | C15 | H15 | 179.8° | 180.0° |
| C24 | C22 | C33 | H33 | 180.0° | 179.9° |
| C22 | C24 | C34 | H34 | 179.7° | 180.0° |
| C33 | C22 | C24 | C34 | 0.1° | 0.1° |
| C22 | C33 | C35 | H33 | 180.0° | 180.0° |
| C22 | C33 | C35 | C36 | 0.1° | 0.0° |
| C33 | C22 | C15 | H15 | 0.1° | 0.1° |
| C24 | C34 | C36 | H34 | 180.0° | 179.9° |
| C24 | C34 | C36 | C35 | 0.4° | 0.0° |
| C24 | C34 | C36 | H36 | 179.6° | 179.9° |
| C27 | C32 | C30 | H32 | 180.0° | 180.0° |
| C27 | C32 | C30 | H30 | 179.7° | 180.0° |
| C28 | C31 | C29 | H31 | 180.0° | 179.8° |
| C31 | C28 | C18 | H18 | 179.8° | 179.9° |
| C28 | C31 | C29 | H29 | 180.0° | 179.7° |
| C31 | C29 | C19 | H19 | 179.8° | 180.0° |
| C29 | C31 | C28 | H28 | 180.0° | 179.8° |
| C32 | C30 | C21 | H21 | 179.7° | 180.0° |
| C30 | C32 | C27 | H27 | 179.6° | 180.0° |
| C33 | C35 | C36 | C34 | 0.3° | 0.0° |
| C33 | C35 | C36 | H36 | 179.7° | 180.0° |
| C34 | C36 | C35 | H36 | 180.0° | 179.9° |
| C36 | C35 | C33 | H33 | 179.9° | 180.0° |
| C35 | C36 | C34 | H34 | 179.6° | 179.9° |
| H371 | C37 | H372 | H373 | 120.0° | 120.0° |
| H111 | C11 | C08 | H081 | 77.8° | 54.7° |
| H111 | C11 | C08 | H082 | 163.0° | 174.7° |
| H112 | C11 | C08 | H081 | 162.0° | 174.8° |
| H112 | C11 | C08 | H082 | 42.8° | 65.3° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H261 | C26 | H262 | H263 | 120.0° | 119.9° |
| H14 | C14 | C20 | H20 | 0.1° | 0.0° |
| H18 | C18 | C28 | H28 | 0.2° | 0.0° |
| H19 | C19 | C29 | H29 | 0.2° | 0.0° |
| H21 | C21 | C30 | H30 | 0.3° | 0.1° |
| H20 | C20 | C23 | H23 | 0.4° | 0.1° |
| H27 | C27 | C32 | H32 | 0.4° | 0.0° |
| H28 | C28 | C31 | H31 | 0.0° | 0.0° |
| H29 | C29 | C31 | H31 | 0.0° | 0.0° |
| H30 | C30 | C32 | H32 | 0.3° | 0.1° |
| H34 | C34 | C36 | H36 | 0.4° | 0.0° |
