KAR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C11 | doub | 1.21Å | 1.23Å | |
| C11 | O2 | sing | 1.34Å | 1.33Å | |
| C11 | C10 | sing | 1.51Å | 1.56Å | |
| O2 | C9 | sing | 1.45Å | 1.43Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H93 | sing | 1.09Å | 1.11Å | |
| C10 | C12 | sing | 1.51Å | 1.57Å | |
| C10 | C13 | sing | 1.57Å | 1.56Å | |
| C10 | C8 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.40Å | 1.37Å | Aromatic |
| C15 | C21 | sing | 1.50Å | 1.47Å | |
| C18 | O19 | sing | 1.36Å | 1.40Å | |
| C18 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| O19 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C17 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C16 | N24 | sing | 1.38Å | 1.36Å | |
| N24 | C25 | sing | 1.47Å | 1.46Å | |
| N24 | C22 | sing | 1.49Å | 1.47Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å | |
| C22 | C21 | sing | 1.52Å | 1.54Å | |
| C22 | C26 | sing | 1.52Å | 1.57Å | |
| C22 | H22 | sing | 1.09Å | 1.12Å | |
| C21 | C23 | sing | 1.54Å | 1.55Å | |
| C21 | C27 | sing | 1.52Å | 1.53Å | |
| C23 | C31 | sing | 1.55Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C27 | N30 | sing | 1.45Å | 1.49Å | |
| C27 | C29 | sing | 1.48Å | 1.54Å | |
| C27 | H27 | sing | 1.09Å | 1.11Å | |
| N30 | C34 | sing | 1.46Å | 1.46Å | |
| N30 | C31 | sing | 1.49Å | 1.47Å | |
| C34 | C33 | sing | 1.50Å | 1.49Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C29 | C32 | sing | 1.50Å | 1.53Å | |
| C29 | C35 | sing | 1.53Å | 1.58Å | |
| C29 | C28 | sing | 1.53Å | 1.59Å | |
| C32 | C33 | doub | 1.30Å | 1.36Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.56Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C36 | H363 | sing | 1.09Å | 1.11Å | |
| C26 | C83 | sing | 1.51Å | 1.46Å | |
| C26 | C28 | sing | 1.53Å | 1.59Å | |
| C26 | O61 | sing | 1.45Å | 1.44Å | |
| C83 | O4 | doub | 1.21Å | 1.22Å | |
| C83 | N85 | sing | 1.35Å | 1.45Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| O61 | C24 | sing | 1.34Å | 1.36Å | |
| C24 | O3 | doub | 1.21Å | 1.21Å | |
| C24 | N85 | sing | 1.34Å | 1.35Å | |
| N85 | C19 | sing | 1.46Å | 1.45Å | |
| C19 | C30 | sing | 1.53Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C30 | CL1 | sing | 1.80Å | 1.77Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C13 | C41 | sing | 1.54Å | 1.56Å | |
| C13 | H131 | sing | 1.10Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C41 | C91 | sing | 1.54Å | 1.56Å | |
| C41 | C92 | sing | 1.48Å | 1.57Å | |
| C41 | H41 | sing | 1.12Å | 1.12Å | |
| C91 | N48 | sing | 1.48Å | 1.49Å | |
| C91 | H911 | sing | 1.06Å | 1.11Å | |
| C91 | H912 | sing | 1.13Å | 1.11Å | |
| C92 | C46 | sing | 1.55Å | 1.55Å | |
| C92 | H921 | sing | 1.09Å | 1.12Å | |
| C92 | H922 | sing | 1.09Å | 1.11Å | |
| C46 | O10 | sing | 1.43Å | 1.44Å | |
| C46 | C94 | sing | 1.53Å | 1.57Å | |
| C46 | C95 | sing | 1.52Å | 1.55Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C94 | C45 | sing | 1.53Å | 1.56Å | |
| C94 | H941 | sing | 1.09Å | 1.12Å | |
| C94 | H942 | sing | 1.09Å | 1.11Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C45 | H453 | sing | 1.09Å | 1.12Å | |
| C95 | N48 | sing | 1.46Å | 1.48Å | |
| C95 | H951 | sing | 1.10Å | 1.12Å | |
| C95 | H952 | sing | 1.10Å | 1.11Å | |
| N48 | C90 | sing | 1.51Å | 1.48Å | |
| C90 | C89 | sing | 1.59Å | 1.55Å | |
| C90 | H901 | sing | 1.07Å | 1.11Å | |
| C90 | H902 | sing | 1.08Å | 1.11Å | |
| C89 | C7 | sing | 1.53Å | 1.53Å | |
| C89 | H891 | sing | 1.07Å | 1.11Å | |
| C89 | H892 | sing | 1.10Å | 1.11Å | |
| C7 | C3 | sing | 1.47Å | 1.51Å | Aromatic |
| C7 | C8 | doub | 1.35Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| N9 | C8 | sing | 1.40Å | 1.32Å | Aromatic |
| N9 | HN9 | sing | 0.97Å | 1.02Å | |
| C2 | C1 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C11 | O2 | 121.1° | 120.0° |
| O1 | C11 | C10 | 121.7° | 120.0° |
| O2 | C11 | C10 | 117.2° | 120.0° |
| C11 | O2 | C9 | 109.9° | 120.0° |
| C11 | C10 | C12 | 110.5° | 104.9° |
| C11 | C10 | C13 | 106.7° | 111.7° |
| C11 | C10 | C8 | 108.2° | 112.5° |
| O2 | C9 | H91 | 112.1° | 109.5° |
| O2 | C9 | H92 | 109.9° | 109.4° |
| O2 | C9 | H93 | 112.0° | 109.5° |
| H91 | C9 | H92 | 112.1° | 109.4° |
| H91 | C9 | H93 | 98.4° | 109.5° |
| H92 | C9 | H93 | 112.1° | 109.5° |
| C12 | C10 | C13 | 100.8° | 106.6° |
| C12 | C10 | C8 | 113.2° | 107.6° |
| C10 | C12 | C14 | 118.4° | 119.3° |
| C10 | C12 | C18 | 124.5° | 119.3° |
| C13 | C10 | C8 | 117.1° | 113.0° |
| C10 | C13 | C41 | 119.9° | 104.3° |
| C10 | C13 | H131 | 108.5° | 110.6° |
| C10 | C13 | H132 | 108.5° | 110.9° |
| C10 | C8 | C7 | 131.3° | 134.6° |
| C10 | C8 | N9 | 119.6° | 117.5° |
| C14 | C12 | C18 | 117.1° | 121.4° |
| C12 | C14 | C15 | 120.0° | 117.1° |
| C12 | C14 | H14 | 120.2° | 121.5° |
| C12 | C18 | O19 | 119.9° | 119.2° |
| C12 | C18 | C17 | 122.0° | 121.8° |
| C15 | C14 | H14 | 119.8° | 121.4° |
| C14 | C15 | C16 | 122.9° | 122.1° |
| C14 | C15 | C21 | 127.6° | 129.7° |
| C16 | C15 | C21 | 109.3° | 108.2° |
| C15 | C16 | C17 | 118.8° | 120.4° |
| C15 | C16 | N24 | 110.1° | 111.3° |
| C15 | C21 | C22 | 105.0° | 104.5° |
| C15 | C21 | C23 | 90.3° | 107.8° |
| C15 | C21 | C27 | 128.0° | 113.7° |
| O19 | C18 | C17 | 118.2° | 119.0° |
| C18 | O19 | C20 | 117.9° | 106.8° |
| C18 | C17 | C16 | 119.1° | 117.2° |
| C18 | C17 | H17 | 121.1° | 121.4° |
| O19 | C20 | H201 | 109.1° | 109.5° |
| O19 | C20 | H202 | 118.0° | 109.5° |
| O19 | C20 | H203 | 109.1° | 109.5° |
| H201 | C20 | H202 | 109.2° | 109.5° |
| H201 | C20 | H203 | 101.0° | 109.4° |
| H202 | C20 | H203 | 109.1° | 109.4° |
| C16 | C17 | H17 | 119.8° | 121.4° |
| C17 | C16 | N24 | 131.1° | 128.3° |
| C16 | N24 | C25 | 123.6° | 106.7° |
| C16 | N24 | C22 | 111.4° | 108.8° |
| C25 | N24 | C22 | 123.5° | 106.7° |
| N24 | C25 | H251 | 107.2° | 109.5° |
| N24 | C25 | H252 | 123.6° | 109.5° |
| N24 | C25 | H253 | 107.2° | 109.5° |
| N24 | C22 | C21 | 101.2° | 104.2° |
| N24 | C22 | C26 | 115.6° | 107.5° |
| N24 | C22 | H22 | 110.4° | 110.5° |
| H251 | C25 | H252 | 107.2° | 109.5° |
| H251 | C25 | H253 | 102.5° | 109.4° |
| H252 | C25 | H253 | 107.2° | 109.5° |
| C21 | C22 | C26 | 107.5° | 113.3° |
| C21 | C22 | H22 | 118.2° | 110.5° |
| C22 | C21 | C23 | 100.1° | 109.9° |
| C22 | C21 | C27 | 123.0° | 116.6° |
| C26 | C22 | H22 | 104.4° | 110.5° |
| C22 | C26 | C83 | 114.8° | 110.6° |
| C22 | C26 | C28 | 111.5° | 109.9° |
| C22 | C26 | O61 | 109.5° | 111.0° |
| C23 | C21 | C27 | 99.1° | 104.1° |
| C21 | C23 | C31 | 106.2° | 103.2° |
| C21 | C23 | H231 | 113.4° | 110.8° |
| C21 | C23 | H232 | 113.5° | 110.2° |
| C21 | C27 | N30 | 101.3° | 110.0° |
| C21 | C27 | C29 | 115.1° | 122.4° |
| C21 | C27 | H27 | 110.4° | 101.4° |
| C31 | C23 | H231 | 113.5° | 110.7° |
| C31 | C23 | H232 | 113.4° | 110.8° |
| C23 | C31 | N30 | 99.6° | 104.0° |
| C23 | C31 | H311 | 116.0° | 110.5° |
| C23 | C31 | H312 | 116.0° | 110.5° |
| H231 | C23 | H232 | 97.0° | 110.8° |
| N30 | C27 | C29 | 106.7° | 117.4° |
| N30 | C27 | H27 | 118.4° | 100.0° |
| C27 | N30 | C34 | 118.0° | 108.8° |
| C27 | N30 | C31 | 114.4° | 105.8° |
| C29 | C27 | H27 | 105.4° | 100.7° |
| C27 | C29 | C32 | 105.6° | 113.7° |
| C27 | C29 | C35 | 106.2° | 107.2° |
| C27 | C29 | C28 | 111.2° | 112.4° |
| C34 | N30 | C31 | 115.7° | 104.2° |
| N30 | C34 | C33 | 100.8° | 111.2° |
| N30 | C34 | H341 | 115.5° | 109.1° |
| N30 | C34 | H342 | 115.6° | 109.1° |
| N30 | C31 | H311 | 116.0° | 110.6° |
| N30 | C31 | H312 | 116.0° | 110.5° |
| C33 | C34 | H341 | 115.5° | 109.2° |
| C33 | C34 | H342 | 115.5° | 109.2° |
| C34 | C33 | C32 | 124.1° | 121.2° |
| C34 | C33 | H33 | 122.9° | 119.3° |
| H341 | C34 | H342 | 94.9° | 109.1° |
| H311 | C31 | H312 | 94.4° | 110.6° |
| C32 | C29 | C35 | 104.2° | 107.0° |
| C32 | C29 | C28 | 113.1° | 109.1° |
| C29 | C32 | C33 | 127.0° | 121.8° |
| C29 | C32 | H32 | 123.3° | 119.1° |
| C35 | C29 | C28 | 115.7° | 107.0° |
| C29 | C35 | C36 | 119.8° | 109.5° |
| C29 | C35 | H351 | 108.5° | 109.5° |
| C29 | C35 | H352 | 108.5° | 109.5° |
| C29 | C28 | C26 | 122.6° | 108.0° |
| C29 | C28 | H281 | 107.6° | 109.8° |
| C29 | C28 | H282 | 107.6° | 109.8° |
| C33 | C32 | H32 | 109.7° | 119.1° |
| C32 | C33 | H33 | 113.0° | 119.4° |
| C36 | C35 | H351 | 108.5° | 109.4° |
| C36 | C35 | H352 | 108.5° | 109.5° |
| C35 | C36 | H361 | 108.5° | 109.5° |
| C35 | C36 | H362 | 119.8° | 109.5° |
| C35 | C36 | H363 | 108.5° | 109.5° |
| H351 | C35 | H352 | 101.5° | 109.5° |
| H361 | C36 | H362 | 108.5° | 109.5° |
| H361 | C36 | H363 | 101.5° | 109.5° |
| H362 | C36 | H363 | 108.5° | 109.4° |
| C83 | C26 | C28 | 106.1° | 110.3° |
| C83 | C26 | O61 | 106.2° | 104.3° |
| C26 | C83 | O4 | 130.4° | 127.4° |
| C26 | C83 | N85 | 104.2° | 105.4° |
| C28 | C26 | O61 | 108.4° | 110.7° |
| C26 | C28 | H281 | 107.6° | 109.7° |
| C26 | C28 | H282 | 107.6° | 109.8° |
| C26 | O61 | C24 | 109.4° | 106.7° |
| O4 | C83 | N85 | 125.4° | 127.3° |
| C83 | N85 | C24 | 110.3° | 111.3° |
| C83 | N85 | C19 | 125.5° | 124.4° |
| H281 | C28 | H282 | 102.2° | 109.7° |
| O61 | C24 | O3 | 124.5° | 123.8° |
| O61 | C24 | N85 | 109.9° | 112.4° |
| O3 | C24 | N85 | 125.5° | 123.8° |
| C24 | N85 | C19 | 124.2° | 124.4° |
| N85 | C19 | C30 | 109.3° | 109.5° |
| N85 | C19 | H191 | 112.3° | 109.5° |
| N85 | C19 | H192 | 112.3° | 109.5° |
| C30 | C19 | H191 | 112.3° | 109.4° |
| C30 | C19 | H192 | 112.3° | 109.4° |
| C19 | C30 | CL1 | 108.5° | 109.5° |
| C19 | C30 | H301 | 112.6° | 109.5° |
| C19 | C30 | H302 | 112.6° | 109.5° |
| H191 | C19 | H192 | 98.1° | 109.5° |
| CL1 | C30 | H301 | 112.6° | 109.5° |
| CL1 | C30 | H302 | 112.5° | 109.4° |
| H301 | C30 | H302 | 97.9° | 109.5° |
| C41 | C13 | H131 | 108.5° | 110.6° |
| C41 | C13 | H132 | 108.5° | 110.9° |
| C13 | C41 | C91 | 114.5° | 101.5° |
| C13 | C41 | C92 | 113.6° | 123.5° |
| C13 | C41 | H41 | 103.0° | 105.7° |
| H131 | C13 | H132 | 101.5° | 109.4° |
| C91 | C41 | C92 | 110.4° | 108.9° |
| C91 | C41 | H41 | 106.8° | 108.9° |
| C41 | C91 | N48 | 115.0° | 101.9° |
| C41 | C91 | H911 | 110.2° | 116.4° |
| C41 | C91 | H912 | 110.2° | 108.4° |
| C92 | C41 | H41 | 107.8° | 107.6° |
| C41 | C92 | C46 | 115.3° | 106.4° |
| C41 | C92 | H921 | 110.1° | 111.8° |
| C41 | C92 | H922 | 110.1° | 112.1° |
| N48 | C91 | H911 | 110.2° | 118.6° |
| N48 | C91 | H912 | 110.2° | 108.0° |
| C91 | N48 | C95 | 116.6° | 103.6° |
| C91 | N48 | C90 | 121.7° | 95.2° |
| H911 | C91 | H912 | 100.0° | 103.1° |
| C46 | C92 | H921 | 110.1° | 108.7° |
| C46 | C92 | H922 | 110.1° | 109.0° |
| C92 | C46 | O10 | 111.3° | 107.5° |
| C92 | C46 | C94 | 112.5° | 108.9° |
| C92 | C46 | C95 | 107.5° | 114.0° |
| H921 | C92 | H922 | 100.1° | 108.7° |
| O10 | C46 | C94 | 100.7° | 107.9° |
| O10 | C46 | C95 | 112.1° | 108.6° |
| C46 | O10 | H10 | 111.3° | 106.8° |
| C94 | C46 | C95 | 112.8° | 109.7° |
| C46 | C94 | C45 | 117.1° | 109.4° |
| C46 | C94 | H941 | 109.5° | 109.5° |
| C46 | C94 | H942 | 109.4° | 109.5° |
| C46 | C95 | N48 | 111.0° | 116.2° |
| C46 | C95 | H951 | 111.6° | 108.9° |
| C46 | C95 | H952 | 111.6° | 109.4° |
| C45 | C94 | H941 | 109.4° | 109.4° |
| C45 | C94 | H942 | 109.5° | 109.5° |
| C94 | C45 | H451 | 109.5° | 109.5° |
| C94 | C45 | H452 | 117.1° | 109.5° |
| C94 | C45 | H453 | 109.4° | 109.5° |
| H941 | C94 | H942 | 100.7° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
| H451 | C45 | H453 | 100.7° | 109.5° |
| H452 | C45 | H453 | 109.5° | 109.4° |
| N48 | C95 | H951 | 111.7° | 107.4° |
| N48 | C95 | H952 | 111.6° | 107.7° |
| C95 | N48 | C90 | 115.5° | 106.9° |
| H951 | C95 | H952 | 98.7° | 106.7° |
| N48 | C90 | C89 | 115.8° | 94.8° |
| N48 | C90 | H901 | 109.9° | 110.9° |
| N48 | C90 | H902 | 109.9° | 110.6° |
| C89 | C90 | H901 | 109.9° | 111.5° |
| C89 | C90 | H902 | 109.9° | 111.4° |
| C90 | C89 | C7 | 126.9° | 105.8° |
| C90 | C89 | H891 | 106.1° | 111.5° |
| C90 | C89 | H892 | 106.1° | 107.8° |
| H901 | C90 | H902 | 100.3° | 115.8° |
| C7 | C89 | H891 | 106.1° | 113.4° |
| C7 | C89 | H892 | 106.1° | 108.3° |
| C89 | C7 | C3 | 114.5° | 119.5° |
| C89 | C7 | C8 | 139.3° | 133.3° |
| H891 | C89 | H892 | 103.3° | 109.8° |
| C3 | C7 | C8 | 106.2° | 107.3° |
| C7 | C3 | C4 | 103.8° | 106.6° |
| C7 | C3 | C2 | 134.6° | 131.8° |
| C7 | C8 | N9 | 109.1° | 107.8° |
| C4 | C3 | C2 | 121.6° | 121.7° |
| C3 | C4 | C5 | 121.7° | 120.7° |
| C3 | C4 | N9 | 108.8° | 106.5° |
| C3 | C2 | C1 | 117.6° | 116.6° |
| C3 | C2 | H2 | 121.1° | 121.8° |
| C5 | C4 | N9 | 129.4° | 132.8° |
| C4 | C5 | C6 | 117.1° | 116.7° |
| C4 | C5 | H5 | 121.3° | 121.6° |
| C4 | N9 | C8 | 112.1° | 111.1° |
| C4 | N9 | HN9 | 124.6° | 123.5° |
| C6 | C5 | H5 | 121.6° | 121.7° |
| C5 | C6 | C1 | 121.3° | 122.3° |
| C5 | C6 | H6 | 119.3° | 118.8° |
| C8 | N9 | HN9 | 123.3° | 125.4° |
| C1 | C2 | H2 | 121.3° | 121.6° |
| C2 | C1 | C6 | 120.7° | 122.1° |
| C2 | C1 | H1 | 119.6° | 119.0° |
| C6 | C1 | H1 | 119.7° | 118.9° |
| C1 | C6 | H6 | 119.4° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C11 | O2 | C10 | 179.6° | 179.9° |
| O1 | C11 | O2 | C9 | 28.0° | 0.0° |
| O1 | C11 | C10 | C12 | 132.0° | 116.9° |
| O1 | C11 | C10 | C13 | 23.3° | 1.8° |
| O1 | C11 | C10 | C8 | 103.6° | 126.5° |
| C11 | O2 | C9 | H91 | 54.7° | 60.0° |
| C11 | O2 | C9 | H92 | 180.0° | 60.0° |
| C11 | O2 | C9 | H93 | 54.7° | 180.0° |
| O2 | C11 | C10 | C12 | 48.5° | 63.0° |
| O2 | C11 | C10 | C13 | 157.1° | 178.1° |
| O2 | C11 | C10 | C8 | 76.0° | 53.6° |
| C10 | C11 | O2 | C9 | 151.6° | 179.9° |
| C11 | C10 | C12 | C13 | 112.5° | 118.6° |
| C11 | C10 | C12 | C8 | 121.6° | 120.0° |
| C11 | C10 | C13 | C8 | 121.4° | 128.1° |
| C11 | C10 | C12 | C14 | 135.7° | 108.9° |
| C11 | C10 | C12 | C18 | 45.0° | 70.8° |
| C11 | C10 | C13 | C41 | 160.0° | 118.5° |
| C11 | C10 | C13 | H131 | 34.7° | 122.7° |
| C11 | C10 | C13 | H132 | 74.7° | 1.0° |
| C11 | C10 | C8 | C7 | 113.1° | 34.3° |
| C11 | C10 | C8 | N9 | 64.9° | 142.4° |
| O2 | C9 | H91 | H92 | 124.1° | 120.0° |
| O2 | C9 | H91 | H93 | 117.9° | 120.0° |
| O2 | C9 | H92 | H93 | 125.2° | 120.0° |
| H91 | C9 | H92 | H93 | 109.5° | 120.0° |
| C12 | C10 | C13 | C8 | 123.2° | 117.9° |
| C10 | C12 | C14 | C18 | 179.3° | 179.7° |
| C10 | C12 | C14 | C15 | 178.6° | 179.9° |
| C10 | C12 | C14 | H14 | 1.4° | 0.0° |
| C10 | C12 | C18 | O19 | 0.6° | 0.1° |
| C10 | C12 | C18 | C17 | 179.5° | 179.3° |
| C12 | C10 | C13 | C41 | 44.6° | 127.5° |
| C12 | C10 | C13 | H131 | 80.7° | 8.6° |
| C12 | C10 | C13 | H132 | 169.9° | 113.0° |
| C12 | C10 | C8 | C7 | 124.1° | 149.3° |
| C12 | C10 | C8 | N9 | 57.9° | 27.3° |
| C13 | C10 | C12 | C14 | 111.8° | 9.7° |
| C13 | C10 | C12 | C18 | 67.5° | 170.6° |
| C10 | C13 | C41 | H131 | 125.3° | 118.9° |
| C10 | C13 | C41 | H132 | 125.3° | 119.5° |
| C10 | C13 | H131 | H132 | 114.1° | 122.5° |
| C10 | C13 | C41 | C91 | 52.2° | 59.2° |
| C10 | C13 | C41 | C92 | 179.6° | 178.7° |
| C10 | C13 | C41 | H41 | 63.3° | 54.4° |
| C13 | C10 | C8 | C7 | 7.5° | 93.3° |
| C13 | C10 | C8 | N9 | 174.5° | 90.0° |
| C8 | C10 | C12 | C14 | 14.2° | 131.1° |
| C8 | C10 | C12 | C18 | 166.6° | 49.2° |
| C8 | C10 | C13 | C41 | 78.6° | 9.6° |
| C8 | C10 | C13 | H131 | 156.1° | 109.3° |
| C8 | C10 | C13 | H132 | 46.6° | 129.1° |
| C10 | C8 | C7 | C89 | 2.3° | 8.8° |
| C10 | C8 | C7 | C3 | 179.3° | 169.7° |
| C10 | C8 | C7 | N9 | 178.2° | 176.9° |
| C10 | C8 | N9 | C4 | 179.4° | 168.0° |
| C10 | C8 | N9 | HN9 | 0.6° | 13.1° |
| C12 | C14 | C15 | H14 | 180.0° | 179.9° |
| C12 | C14 | C15 | C16 | 2.2° | 0.7° |
| C12 | C14 | C15 | C21 | 177.2° | 178.1° |
| C14 | C12 | C18 | O19 | 179.8° | 179.6° |
| C14 | C12 | C18 | C17 | 0.3° | 1.0° |
| C18 | C12 | C14 | C15 | 0.7° | 0.4° |
| C18 | C12 | C14 | H14 | 179.3° | 179.7° |
| C12 | C18 | O19 | C17 | 179.9° | 179.4° |
| C12 | C18 | O19 | C20 | 104.4° | 179.5° |
| C12 | C18 | C17 | C16 | 0.0° | 0.6° |
| C12 | C18 | C17 | H17 | 180.0° | 179.7° |
| C14 | C15 | C16 | C21 | 175.9° | 179.0° |
| C14 | C15 | C16 | C17 | 2.4° | 1.1° |
| C14 | C15 | C16 | N24 | 178.3° | 177.7° |
| C14 | C15 | C21 | C22 | 167.0° | 171.2° |
| C14 | C15 | C21 | C23 | 92.5° | 54.2° |
| C14 | C15 | C21 | C27 | 9.3° | 60.6° |
| H14 | C14 | C15 | C16 | 177.9° | 179.2° |
| H14 | C14 | C15 | C21 | 2.8° | 2.0° |
| C15 | C16 | C17 | C18 | 1.3° | 0.5° |
| C15 | C16 | C17 | N24 | 179.1° | 178.6° |
| C15 | C16 | C17 | H17 | 178.7° | 179.3° |
| C15 | C16 | N24 | C25 | 179.7° | 128.3° |
| C15 | C16 | N24 | C22 | 13.3° | 13.4° |
| C16 | C15 | C21 | C22 | 8.6° | 7.7° |
| C16 | C15 | C21 | C23 | 91.9° | 124.7° |
| C16 | C15 | C21 | C27 | 166.3° | 120.5° |
| C21 | C15 | C16 | C17 | 178.3° | 177.9° |
| C21 | C15 | C16 | N24 | 2.4° | 3.3° |
| C15 | C21 | C22 | N24 | 15.1° | 14.9° |
| C15 | C21 | C22 | C23 | 93.0° | 115.5° |
| C15 | C21 | C22 | C27 | 159.1° | 126.5° |
| C15 | C21 | C22 | C26 | 106.6° | 131.4° |
| C15 | C21 | C22 | H22 | 135.7° | 103.9° |
| C15 | C21 | C23 | C27 | 128.6° | 121.0° |
| C15 | C21 | C23 | C31 | 172.7° | 96.5° |
| C15 | C21 | C23 | H231 | 62.0° | 145.0° |
| C15 | C21 | C23 | H232 | 47.4° | 21.9° |
| C15 | C21 | C27 | N30 | 135.6° | 112.0° |
| C15 | C21 | C27 | C29 | 109.8° | 103.8° |
| C15 | C21 | C27 | H27 | 9.3° | 6.9° |
| C18 | O19 | C20 | H201 | 54.7° | 60.0° |
| C18 | O19 | C20 | H202 | 180.0° | 180.0° |
| C18 | O19 | C20 | H203 | 54.8° | 60.1° |
| O19 | C18 | C17 | C16 | 179.9° | 180.0° |
| O19 | C18 | C17 | H17 | 0.1° | 0.3° |
| C17 | C18 | O19 | C20 | 75.5° | 0.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.7° |
| C18 | C17 | C16 | N24 | 179.6° | 178.2° |
| O19 | C20 | H201 | H202 | 130.2° | 120.1° |
| O19 | C20 | H201 | H203 | 114.9° | 120.0° |
| O19 | C20 | H202 | H203 | 125.2° | 120.0° |
| H201 | C20 | H202 | H203 | 109.5° | 119.9° |
| C17 | C16 | N24 | C25 | 1.1° | 53.0° |
| C17 | C16 | N24 | C22 | 167.4° | 167.8° |
| H17 | C17 | C16 | N24 | 0.4° | 2.1° |
| C16 | N24 | C25 | C22 | 164.7° | 116.2° |
| C16 | N24 | C25 | H251 | 54.7° | 55.3° |
| C16 | N24 | C25 | H252 | 180.0° | 175.3° |
| C16 | N24 | C25 | H253 | 54.7° | 64.7° |
| C16 | N24 | C22 | C21 | 17.6° | 17.5° |
| C16 | N24 | C22 | C26 | 98.2° | 138.1° |
| C16 | N24 | C22 | H22 | 143.5° | 101.2° |
| N24 | C25 | H251 | H252 | 134.6° | 120.0° |
| N24 | C25 | H251 | H253 | 112.7° | 120.0° |
| N24 | C25 | H252 | H253 | 125.3° | 120.0° |
| C25 | N24 | C22 | C21 | 176.1° | 132.4° |
| C25 | N24 | C22 | C26 | 68.2° | 107.1° |
| C25 | N24 | C22 | H22 | 50.1° | 13.6° |
| C22 | N24 | C25 | H251 | 110.0° | 171.5° |
| C22 | N24 | C25 | H252 | 15.3° | 68.5° |
| C22 | N24 | C25 | H253 | 140.6° | 51.5° |
| N24 | C22 | C21 | C26 | 121.7° | 116.5° |
| N24 | C22 | C21 | H22 | 120.6° | 118.8° |
| N24 | C22 | C26 | H22 | 121.5° | 120.7° |
| N24 | C22 | C21 | C23 | 78.0° | 130.3° |
| N24 | C22 | C21 | C27 | 174.2° | 111.6° |
| N24 | C22 | C26 | C83 | 38.3° | 55.8° |
| N24 | C22 | C26 | C28 | 159.0° | 66.2° |
| N24 | C22 | C26 | O61 | 81.1° | 171.0° |
| H251 | C25 | H252 | H253 | 109.4° | 120.0° |
| C21 | C22 | C26 | H22 | 126.3° | 124.7° |
| C22 | C21 | C23 | C27 | 126.1° | 125.6° |
| C22 | C21 | C23 | C31 | 82.0° | 150.2° |
| C22 | C21 | C23 | H231 | 43.3° | 31.6° |
| C22 | C21 | C23 | H232 | 152.7° | 91.5° |
| C22 | C21 | C27 | N30 | 70.3° | 126.2° |
| C22 | C21 | C27 | C29 | 44.3° | 18.0° |
| C22 | C21 | C27 | H27 | 163.4° | 128.6° |
| C21 | C22 | C26 | C83 | 73.9° | 170.3° |
| C21 | C22 | C26 | C28 | 46.8° | 48.3° |
| C21 | C22 | C26 | O61 | 166.8° | 74.4° |
| C26 | C22 | C21 | C23 | 160.4° | 113.1° |
| C26 | C22 | C21 | C27 | 52.5° | 5.0° |
| C22 | C26 | C28 | C29 | 43.1° | 71.1° |
| C22 | C26 | C83 | C28 | 123.6° | 121.8° |
| C22 | C26 | C83 | O61 | 121.2° | 119.4° |
| C22 | C26 | C28 | O61 | 120.6° | 123.0° |
| C22 | C26 | C83 | O4 | 58.1° | 60.5° |
| C22 | C26 | C83 | N85 | 121.2° | 119.5° |
| C22 | C26 | C28 | H281 | 82.2° | 169.3° |
| C22 | C26 | C28 | H282 | 168.4° | 48.6° |
| C22 | C26 | O61 | C24 | 124.6° | 119.2° |
| H22 | C22 | C21 | C23 | 42.7° | 11.6° |
| H22 | C22 | C21 | C27 | 65.2° | 129.7° |
| H22 | C22 | C26 | C83 | 159.8° | 64.9° |
| H22 | C22 | C26 | C28 | 79.5° | 173.0° |
| H22 | C22 | C26 | O61 | 40.5° | 50.3° |
| C21 | C23 | C31 | H231 | 125.3° | 118.7° |
| C21 | C23 | C31 | H232 | 125.3° | 117.9° |
| C21 | C23 | H231 | H232 | 119.4° | 122.7° |
| C23 | C21 | C27 | N30 | 38.1° | 5.0° |
| C23 | C21 | C27 | C29 | 152.7° | 139.2° |
| C23 | C21 | C27 | H27 | 88.2° | 110.1° |
| C21 | C23 | C31 | N30 | 30.4° | 35.6° |
| C21 | C23 | C31 | H311 | 94.9° | 154.2° |
| C21 | C23 | C31 | H312 | 155.7° | 83.0° |
| C27 | C21 | C23 | C31 | 44.1° | 24.6° |
| C27 | C21 | C23 | H231 | 169.4° | 94.0° |
| C27 | C21 | C23 | H232 | 81.2° | 142.9° |
| C21 | C27 | N30 | C29 | 120.8° | 146.2° |
| C21 | C27 | N30 | H27 | 120.8° | 106.2° |
| C21 | C27 | C29 | H27 | 121.9° | 111.1° |
| C21 | C27 | N30 | C34 | 163.4° | 93.8° |
| C21 | C27 | N30 | C31 | 22.2° | 17.7° |
| C21 | C27 | C29 | C32 | 152.0° | 120.3° |
| C21 | C27 | C29 | C35 | 97.7° | 121.7° |
| C21 | C27 | C29 | C28 | 28.9° | 4.4° |
| C31 | C23 | H231 | H232 | 119.4° | 123.4° |
| C23 | C31 | N30 | C27 | 4.9° | 33.0° |
| C23 | C31 | N30 | C34 | 137.2° | 81.7° |
| C23 | C31 | N30 | H311 | 125.2° | 118.7° |
| C23 | C31 | N30 | H312 | 125.3° | 118.6° |
| C23 | C31 | H311 | H312 | 121.8° | 122.7° |
| H231 | C23 | C31 | N30 | 155.6° | 83.1° |
| H231 | C23 | C31 | H311 | 30.4° | 35.6° |
| H231 | C23 | C31 | H312 | 79.1° | 158.3° |
| H232 | C23 | C31 | N30 | 94.9° | 153.5° |
| H232 | C23 | C31 | H311 | 139.8° | 87.8° |
| H232 | C23 | C31 | H312 | 30.4° | 34.9° |
| N30 | C27 | C29 | H27 | 126.7° | 107.2° |
| C27 | N30 | C34 | C31 | 140.7° | 112.6° |
| C27 | N30 | C34 | C33 | 60.0° | 56.1° |
| C27 | N30 | C34 | H341 | 174.8° | 64.4° |
| C27 | N30 | C34 | H342 | 65.3° | 176.5° |
| C27 | N30 | C31 | H311 | 120.3° | 151.6° |
| C27 | N30 | C31 | H312 | 130.2° | 85.6° |
| N30 | C27 | C29 | C32 | 40.6° | 21.5° |
| N30 | C27 | C29 | C35 | 150.8° | 96.6° |
| N30 | C27 | C29 | C28 | 82.5° | 146.1° |
| C29 | C27 | N30 | C34 | 75.8° | 52.4° |
| C29 | C27 | N30 | C31 | 143.0° | 163.9° |
| C27 | C29 | C32 | C35 | 111.7° | 118.1° |
| C27 | C29 | C32 | C28 | 121.8° | 126.4° |
| C27 | C29 | C35 | C28 | 123.9° | 120.8° |
| C27 | C29 | C32 | C33 | 10.5° | 5.6° |
| C27 | C29 | C32 | H32 | 169.5° | 174.4° |
| C27 | C29 | C35 | C36 | 136.6° | 179.2° |
| C27 | C29 | C35 | H351 | 98.2° | 60.9° |
| C27 | C29 | C35 | H352 | 11.3° | 59.1° |
| C27 | C29 | C28 | C26 | 32.3° | 47.2° |
| C27 | C29 | C28 | H281 | 92.9° | 166.8° |
| C27 | C29 | C28 | H282 | 157.6° | 72.5° |
| H27 | C27 | N30 | C34 | 42.6° | 160.0° |
| H27 | C27 | N30 | C31 | 98.6° | 88.5° |
| H27 | C27 | C29 | C32 | 86.1° | 128.7° |
| H27 | C27 | C29 | C35 | 24.2° | 10.6° |
| H27 | C27 | C29 | C28 | 150.8° | 106.7° |
| N30 | C34 | C33 | H341 | 125.3° | 120.4° |
| N30 | C34 | C33 | H342 | 125.3° | 120.4° |
| N30 | C34 | H341 | H342 | 121.4° | 119.1° |
| C34 | N30 | C31 | H311 | 97.5° | 37.0° |
| C34 | N30 | C31 | H312 | 12.0° | 159.7° |
| N30 | C34 | C33 | C32 | 20.4° | 32.8° |
| N30 | C34 | C33 | H33 | 159.6° | 147.4° |
| C31 | N30 | C34 | C33 | 159.3° | 168.7° |
| C31 | N30 | C34 | H341 | 34.0° | 48.2° |
| C31 | N30 | C34 | H342 | 75.5° | 70.9° |
| N30 | C31 | H311 | H312 | 121.8° | 122.7° |
| C33 | C34 | H341 | H342 | 121.4° | 119.2° |
| C34 | C33 | C32 | C29 | 0.3° | 0.8° |
| C34 | C33 | C32 | H33 | 180.0° | 179.9° |
| C34 | C33 | C32 | H32 | 179.7° | 179.2° |
| H341 | C34 | C33 | C32 | 145.7° | 87.6° |
| H341 | C34 | C33 | H33 | 34.3° | 92.2° |
| H342 | C34 | C33 | C32 | 104.8° | 153.2° |
| H342 | C34 | C33 | H33 | 75.1° | 27.0° |
| C32 | C29 | C35 | C28 | 124.9° | 116.9° |
| C29 | C32 | C33 | H32 | 180.0° | 180.0° |
| C29 | C32 | C33 | H33 | 179.7° | 179.4° |
| C32 | C29 | C35 | C36 | 112.2° | 56.9° |
| C32 | C29 | C35 | H351 | 13.1° | 176.8° |
| C32 | C29 | C35 | H352 | 122.6° | 63.2° |
| C32 | C29 | C28 | C26 | 151.0° | 79.9° |
| C32 | C29 | C28 | H281 | 25.7° | 39.7° |
| C32 | C29 | C28 | H282 | 83.7° | 160.4° |
| C35 | C29 | C32 | C33 | 122.2° | 123.7° |
| C35 | C29 | C32 | H32 | 57.8° | 56.3° |
| C29 | C35 | C36 | H351 | 125.3° | 120.0° |
| C29 | C35 | C36 | H352 | 125.3° | 120.0° |
| C29 | C35 | H351 | H352 | 114.2° | 120.0° |
| C29 | C35 | C36 | H361 | 54.7° | 60.0° |
| C29 | C35 | C36 | H362 | 180.0° | 60.0° |
| C29 | C35 | C36 | H363 | 54.7° | 180.0° |
| C35 | C29 | C28 | C26 | 88.9° | 164.6° |
| C35 | C29 | C28 | H281 | 145.9° | 75.8° |
| C35 | C29 | C28 | H282 | 36.4° | 44.9° |
| C28 | C29 | C32 | C33 | 111.3° | 120.8° |
| C28 | C29 | C32 | H32 | 68.7° | 59.2° |
| C28 | C29 | C35 | C36 | 12.7° | 60.0° |
| C28 | C29 | C35 | H351 | 138.0° | 60.0° |
| C28 | C29 | C35 | H352 | 112.6° | 180.0° |
| C29 | C28 | C26 | C83 | 82.5° | 166.7° |
| C29 | C28 | C26 | H281 | 125.3° | 119.6° |
| C29 | C28 | C26 | H282 | 125.2° | 119.7° |
| C29 | C28 | C26 | O61 | 163.8° | 51.8° |
| C29 | C28 | H281 | H282 | 113.1° | 120.8° |
| H32 | C32 | C33 | H33 | 0.3° | 0.6° |
| C36 | C35 | H351 | H352 | 114.2° | 120.0° |
| C35 | C36 | H361 | H362 | 131.7° | 120.0° |
| C35 | C36 | H361 | H363 | 114.2° | 120.0° |
| C35 | C36 | H362 | H363 | 125.3° | 120.0° |
| H351 | C35 | C36 | H361 | 180.0° | 180.0° |
| H351 | C35 | C36 | H362 | 54.7° | 60.0° |
| H351 | C35 | C36 | H363 | 70.5° | 60.0° |
| H352 | C35 | C36 | H361 | 70.5° | 60.0° |
| H352 | C35 | C36 | H362 | 54.7° | 180.0° |
| H352 | C35 | C36 | H363 | NaN° | 60.0° |
| H361 | C36 | H362 | H363 | 109.5° | 120.0° |
| C83 | C26 | C28 | O61 | 113.7° | 114.8° |
| C26 | C83 | O4 | N85 | 179.1° | 179.9° |
| C83 | C26 | C28 | H281 | 152.2° | 47.1° |
| C83 | C26 | C28 | H282 | 42.8° | 73.6° |
| C83 | C26 | O61 | C24 | 0.2° | 0.1° |
| C26 | C83 | N85 | C24 | 0.2° | 0.1° |
| C26 | C83 | N85 | C19 | 180.0° | 179.9° |
| C28 | C26 | C83 | O4 | 65.5° | 61.2° |
| C28 | C26 | C83 | N85 | 115.3° | 118.7° |
| C26 | C28 | H281 | H282 | 113.1° | 120.7° |
| C28 | C26 | O61 | C24 | 113.5° | 118.5° |
| O61 | C26 | C83 | O4 | 179.3° | 180.0° |
| O61 | C26 | C83 | N85 | 0.0° | 0.1° |
| O61 | C26 | C28 | H281 | 38.5° | 67.8° |
| O61 | C26 | C28 | H282 | 71.0° | 171.6° |
| C26 | O61 | C24 | O3 | 179.9° | 180.0° |
| C26 | O61 | C24 | N85 | 0.3° | 0.1° |
| O4 | C83 | N85 | C24 | 179.5° | 180.0° |
| O4 | C83 | N85 | C19 | 0.7° | 0.0° |
| C83 | N85 | C24 | O61 | 0.3° | 0.0° |
| C83 | N85 | C24 | O3 | 179.9° | 179.9° |
| C83 | N85 | C24 | C19 | 179.8° | 180.0° |
| C83 | N85 | C19 | C30 | 115.5° | 90.0° |
| C83 | N85 | C19 | H191 | 119.2° | 30.0° |
| C83 | N85 | C19 | H192 | 9.8° | 150.0° |
| O61 | C24 | O3 | N85 | 179.8° | 179.9° |
| O61 | C24 | N85 | C19 | 179.9° | 180.0° |
| O3 | C24 | N85 | C19 | 0.1° | 0.1° |
| C24 | N85 | C19 | C30 | 64.8° | 90.0° |
| C24 | N85 | C19 | H191 | 60.5° | 150.0° |
| C24 | N85 | C19 | H192 | 169.9° | 30.0° |
| N85 | C19 | C30 | H191 | 125.3° | 120.0° |
| N85 | C19 | C30 | H192 | 125.3° | 120.0° |
| N85 | C19 | H191 | H192 | 118.2° | 120.1° |
| N85 | C19 | C30 | CL1 | 83.6° | 180.0° |
| N85 | C19 | C30 | H301 | 41.6° | 60.0° |
| N85 | C19 | C30 | H302 | 151.1° | 60.0° |
| C30 | C19 | H191 | H192 | 118.2° | 119.9° |
| C19 | C30 | CL1 | H301 | 125.3° | 120.0° |
| C19 | C30 | CL1 | H302 | 125.3° | 120.0° |
| C19 | C30 | H301 | H302 | 118.5° | 120.0° |
| H191 | C19 | C30 | CL1 | 151.1° | 59.9° |
| H191 | C19 | C30 | H301 | 83.6° | 180.0° |
| H191 | C19 | C30 | H302 | 25.9° | 60.0° |
| H192 | C19 | C30 | CL1 | 41.7° | 60.0° |
| H192 | C19 | C30 | H301 | 166.9° | 60.0° |
| H192 | C19 | C30 | H302 | 83.6° | 180.0° |
| CL1 | C30 | H301 | H302 | 118.5° | 120.0° |
| C41 | C13 | H131 | H132 | 114.1° | 122.5° |
| C13 | C41 | C91 | C92 | 129.8° | 131.7° |
| C13 | C41 | C91 | H41 | 113.3° | 111.2° |
| C13 | C41 | C92 | H41 | 113.5° | 123.4° |
| C13 | C41 | C91 | N48 | 90.0° | 147.9° |
| C13 | C41 | C91 | H911 | 35.2° | 17.2° |
| C13 | C41 | C91 | H912 | 144.7° | 98.4° |
| C13 | C41 | C92 | C46 | 83.3° | 179.0° |
| C13 | C41 | C92 | H921 | 151.4° | 62.5° |
| C13 | C41 | C92 | H922 | 42.0° | 59.9° |
| H131 | C13 | C41 | C91 | 177.5° | 178.1° |
| H131 | C13 | C41 | C92 | 54.3° | 59.8° |
| H131 | C13 | C41 | H41 | 62.0° | 64.5° |
| H132 | C13 | C41 | C91 | 73.0° | 60.3° |
| H132 | C13 | C41 | C92 | 55.1° | 61.8° |
| H132 | C13 | C41 | H41 | 171.5° | 173.9° |
| C91 | C41 | C92 | H41 | 116.3° | 117.9° |
| C41 | C91 | N48 | H911 | 125.3° | 129.3° |
| C41 | C91 | N48 | H912 | 125.3° | 114.1° |
| C41 | C91 | H911 | H912 | 116.0° | 118.5° |
| C91 | C41 | C92 | C46 | 46.9° | 60.3° |
| C91 | C41 | C92 | H921 | 78.4° | 178.9° |
| C91 | C41 | C92 | H922 | 172.2° | 58.8° |
| C41 | C91 | N48 | C95 | 46.5° | 72.9° |
| C41 | C91 | N48 | C90 | 104.7° | 178.3° |
| C92 | C41 | C91 | N48 | 39.7° | 80.4° |
| C92 | C41 | C91 | H911 | 165.0° | 148.9° |
| C92 | C41 | C91 | H912 | 85.6° | 33.3° |
| C41 | C92 | C46 | H921 | 125.3° | 120.5° |
| C41 | C92 | C46 | H922 | 125.3° | 121.1° |
| C41 | C92 | H921 | H922 | 115.9° | 124.2° |
| C41 | C92 | C46 | O10 | 67.0° | 160.8° |
| C41 | C92 | C46 | C94 | 179.1° | 82.5° |
| C41 | C92 | C46 | C95 | 56.1° | 40.3° |
| H41 | C41 | C91 | N48 | 156.7° | 36.7° |
| H41 | C41 | C91 | H911 | 78.1° | 94.0° |
| H41 | C41 | C91 | H912 | 31.4° | 150.4° |
| H41 | C41 | C92 | C46 | 163.2° | 57.6° |
| H41 | C41 | C92 | H921 | 37.9° | 60.9° |
| H41 | C41 | C92 | H922 | 71.5° | 176.7° |
| N48 | C91 | H911 | H912 | 116.0° | 119.2° |
| C91 | N48 | C95 | C46 | 55.9° | 57.9° |
| C91 | N48 | C95 | C90 | 153.1° | 99.9° |
| C91 | N48 | C95 | H951 | 69.3° | 64.4° |
| C91 | N48 | C95 | H952 | 178.8° | 179.0° |
| C91 | N48 | C90 | C89 | 36.7° | 64.3° |
| C91 | N48 | C90 | H901 | 88.6° | 50.9° |
| C91 | N48 | C90 | H902 | 162.0° | 179.3° |
| H911 | C91 | N48 | C95 | 171.8° | 157.8° |
| H911 | C91 | N48 | C90 | 20.5° | 49.0° |
| H912 | C91 | N48 | C95 | 78.7° | 41.1° |
| H912 | C91 | N48 | C90 | 130.0° | 67.6° |
| C46 | C92 | H921 | H922 | 115.9° | 118.6° |
| C92 | C46 | O10 | C94 | 119.4° | 117.3° |
| C92 | C46 | O10 | C95 | 120.4° | 123.8° |
| C92 | C46 | C94 | C95 | 121.8° | 125.4° |
| C92 | C46 | O10 | H10 | 180.0° | 177.3° |
| C92 | C46 | C94 | C45 | 73.2° | 176.4° |
| C92 | C46 | C94 | H941 | 52.1° | 63.6° |
| C92 | C46 | C94 | H942 | 161.5° | 56.4° |
| C92 | C46 | C95 | N48 | 58.0° | 41.8° |
| C92 | C46 | C95 | H951 | 67.3° | 79.7° |
| C92 | C46 | C95 | H952 | 176.7° | 164.0° |
| H921 | C92 | C46 | O10 | 167.7° | 78.6° |
| H921 | C92 | C46 | C94 | 55.6° | 38.0° |
| H921 | C92 | C46 | C95 | 69.2° | 160.9° |
| H922 | C92 | C46 | O10 | 58.3° | 39.8° |
| H922 | C92 | C46 | C94 | 53.8° | 156.5° |
| H922 | C92 | C46 | C95 | 178.7° | 80.7° |
| O10 | C46 | C94 | C95 | 119.6° | 118.2° |
| O10 | C46 | C94 | C45 | 168.3° | 60.0° |
| O10 | C46 | C94 | H941 | 66.5° | 179.9° |
| O10 | C46 | C94 | H942 | 43.0° | 60.0° |
| O10 | C46 | C95 | N48 | 64.6° | 161.6° |
| O10 | C46 | C95 | H951 | 170.1° | 40.1° |
| O10 | C46 | C95 | H952 | 60.7° | 76.2° |
| C94 | C46 | O10 | H10 | 60.6° | 60.0° |
| C46 | C94 | C45 | H941 | 125.3° | 120.0° |
| C46 | C94 | C45 | H942 | 125.2° | 120.0° |
| C46 | C94 | H941 | H942 | 115.2° | 120.0° |
| C46 | C94 | C45 | H451 | 54.7° | 180.0° |
| C46 | C94 | C45 | H452 | 180.0° | 60.0° |
| C46 | C94 | C45 | H453 | 54.8° | 60.0° |
| C94 | C46 | C95 | N48 | 177.4° | 80.6° |
| C94 | C46 | C95 | H951 | 57.4° | 157.9° |
| C94 | C46 | C95 | H952 | 52.1° | 41.6° |
| C95 | C46 | O10 | H10 | 59.6° | 58.9° |
| C95 | C46 | C94 | C45 | 48.6° | 58.2° |
| C95 | C46 | C94 | H941 | 173.9° | 61.7° |
| C95 | C46 | C94 | H942 | 76.6° | 178.2° |
| C46 | C95 | N48 | H951 | 125.3° | 122.3° |
| C46 | C95 | N48 | H952 | 125.3° | 123.1° |
| C46 | C95 | H951 | H952 | 117.5° | 118.0° |
| C46 | C95 | N48 | C90 | 97.1° | 157.7° |
| C45 | C94 | H941 | H942 | 115.3° | 120.0° |
| C94 | C45 | H451 | H452 | 129.6° | 120.0° |
| C94 | C45 | H451 | H453 | 115.2° | 120.0° |
| C94 | C45 | H452 | H453 | 125.2° | 120.0° |
| H941 | C94 | C45 | H451 | 180.0° | 60.0° |
| H941 | C94 | C45 | H452 | 54.7° | 60.0° |
| H941 | C94 | C45 | H453 | 70.5° | 180.0° |
| H942 | C94 | C45 | H451 | 70.5° | 60.0° |
| H942 | C94 | C45 | H452 | 54.8° | 180.0° |
| H942 | C94 | C45 | H453 | 180.0° | 60.0° |
| H451 | C45 | H452 | H453 | 109.5° | 120.0° |
| N48 | C95 | H951 | H952 | 117.5° | 115.3° |
| C95 | N48 | C90 | C89 | 114.9° | 170.2° |
| C95 | N48 | C90 | H901 | 119.9° | 55.0° |
| C95 | N48 | C90 | H902 | 10.4° | 74.8° |
| H951 | C95 | N48 | C90 | 137.6° | 35.4° |
| H952 | C95 | N48 | C90 | 28.1° | 79.2° |
| N48 | C90 | C89 | H901 | 125.3° | 114.7° |
| N48 | C90 | C89 | H902 | 125.3° | 114.3° |
| N48 | C90 | H901 | H902 | 115.7° | 127.0° |
| N48 | C90 | C89 | C7 | 66.0° | 22.0° |
| N48 | C90 | C89 | H891 | 168.7° | 101.7° |
| N48 | C90 | C89 | H892 | 59.2° | 137.7° |
| C89 | C90 | H901 | H902 | 115.7° | 128.7° |
| C90 | C89 | C7 | H891 | 125.3° | 122.5° |
| C90 | C89 | C7 | H892 | 125.2° | 115.4° |
| C90 | C89 | H891 | H892 | 111.4° | 119.4° |
| C90 | C89 | C7 | C3 | 89.1° | 79.2° |
| C90 | C89 | C7 | C8 | 89.2° | 102.4° |
| H901 | C90 | C89 | C7 | 59.2° | 136.7° |
| H901 | C90 | C89 | H891 | 66.1° | 13.0° |
| H901 | C90 | C89 | H892 | 175.5° | 107.5° |
| H902 | C90 | C89 | C7 | 168.7° | 92.3° |
| H902 | C90 | C89 | H891 | 43.4° | 144.0° |
| H902 | C90 | C89 | H892 | 66.1° | 23.5° |
| C7 | C89 | H891 | H892 | 111.4° | 121.3° |
| C89 | C7 | C3 | C8 | 178.8° | 178.8° |
| C89 | C7 | C3 | C4 | 179.8° | 178.4° |
| C89 | C7 | C3 | C2 | 0.9° | 1.5° |
| C89 | C7 | C8 | N9 | 179.5° | 174.3° |
| H891 | C89 | C7 | C3 | 36.2° | 158.3° |
| H891 | C89 | C7 | C8 | 145.5° | 20.1° |
| H892 | C89 | C7 | C3 | 145.7° | 36.1° |
| H892 | C89 | C7 | C8 | 36.0° | 142.3° |
| C7 | C3 | C4 | C2 | 179.3° | 179.9° |
| C7 | C3 | C4 | C5 | 179.7° | 177.4° |
| C7 | C3 | C4 | N9 | 0.5° | 2.8° |
| C3 | C7 | C8 | N9 | 1.2° | 7.2° |
| C7 | C3 | C2 | C1 | 179.3° | 178.4° |
| C7 | C3 | C2 | H2 | 0.7° | 1.7° |
| C8 | C7 | C3 | C4 | 1.0° | 2.8° |
| C8 | C7 | C3 | C2 | 179.8° | 177.3° |
| C7 | C8 | N9 | C4 | 0.9° | 9.5° |
| C7 | C8 | N9 | HN9 | 179.1° | 169.4° |
| C3 | C4 | C5 | N9 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.4° | 1.7° |
| C3 | C4 | C5 | H5 | 179.6° | 178.0° |
| C3 | C4 | N9 | C8 | 0.2° | 7.5° |
| C3 | C4 | N9 | HN9 | 179.8° | 171.4° |
| C4 | C3 | C2 | C1 | 0.2° | 1.7° |
| C4 | C3 | C2 | H2 | 179.8° | 178.1° |
| C2 | C3 | C4 | C5 | 0.3° | 2.7° |
| C2 | C3 | C4 | N9 | 179.8° | 177.1° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | N9 | C8 | 179.6° | 172.8° |
| C5 | C4 | N9 | HN9 | 0.4° | 8.3° |
| C4 | C5 | C6 | C1 | 0.3° | 0.0° |
| C4 | C5 | C6 | H6 | 179.7° | 179.9° |
| N9 | C4 | C5 | C6 | 179.8° | 177.9° |
| N9 | C4 | C5 | H5 | 0.2° | 2.3° |
| C4 | N9 | C8 | HN9 | 180.0° | 178.8° |
| C5 | C6 | C1 | C2 | 0.2° | 0.9° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 179.9° | 178.9° |
| H5 | C5 | C6 | C1 | 179.7° | 179.8° |
| H5 | C5 | C6 | H6 | 0.3° | 0.2° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | H6 | 179.8° | 179.0° |
| H2 | C2 | C1 | C6 | 179.9° | 179.9° |
| H2 | C2 | C1 | H1 | 0.1° | 0.1° |
| H1 | C1 | C6 | H6 | 0.1° | 1.1° |
