TA1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C01 | sing | 1.44Å | 1.44Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| C01 | C02 | sing | 1.54Å | 1.63Å | |
| C01 | C43 | sing | 1.52Å | 1.60Å | |
| C01 | C45 | sing | 1.52Å | 1.66Å | |
| C02 | O02 | sing | 1.47Å | 1.48Å | |
| C02 | C10 | sing | 1.53Å | 1.62Å | |
| C02 | H021 | sing | 1.09Å | 1.11Å | |
| O02 | C03 | sing | 1.35Å | 1.41Å | |
| C03 | O03 | doub | 1.22Å | 1.21Å | |
| C03 | C04 | sing | 1.48Å | 1.44Å | |
| C04 | C05 | doub | 1.40Å | 1.46Å | Aromatic |
| C04 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.50Å | Aromatic |
| C05 | H051 | sing | 1.08Å | 1.10Å | |
| C06 | C07 | doub | 1.38Å | 1.42Å | Aromatic |
| C06 | H061 | sing | 1.08Å | 1.10Å | |
| C07 | C08 | sing | 1.38Å | 1.25Å | Aromatic |
| C07 | HC71 | sing | 1.08Å | 1.10Å | |
| C08 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C08 | H081 | sing | 1.08Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | sing | 1.51Å | 1.61Å | |
| C10 | C18 | sing | 1.49Å | 1.69Å | |
| C10 | H101 | sing | 1.11Å | 1.12Å | |
| C11 | O04 | sing | 1.46Å | 1.49Å | |
| C11 | C14 | sing | 1.53Å | 1.55Å | |
| C11 | C15 | sing | 1.52Å | 1.56Å | |
| O04 | C12 | sing | 1.34Å | 1.38Å | |
| C12 | O05 | doub | 1.21Å | 1.19Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.12Å | |
| C14 | O06 | sing | 1.43Å | 1.45Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| O06 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.52Å | 1.52Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | O07 | sing | 1.42Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.60Å | |
| C17 | H171 | sing | 1.10Å | 1.12Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| C18 | C19 | sing | 1.52Å | 1.56Å | |
| C18 | C20 | sing | 1.51Å | 1.62Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.12Å | |
| C20 | O08 | doub | 1.23Å | 1.22Å | |
| C20 | C21 | sing | 1.52Å | 1.53Å | |
| C21 | O09 | sing | 1.44Å | 1.49Å | |
| C21 | C24 | sing | 1.50Å | 1.53Å | |
| C21 | H211 | sing | 1.12Å | 1.11Å | |
| O09 | C22 | sing | 1.34Å | 1.38Å | |
| C22 | O10 | doub | 1.21Å | 1.19Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | doub | 1.33Å | 1.39Å | |
| C24 | C45 | sing | 1.49Å | 1.61Å | |
| C25 | C26 | sing | 1.51Å | 1.56Å | |
| C25 | C44 | sing | 1.52Å | 1.52Å | |
| C26 | O11 | sing | 1.46Å | 1.47Å | |
| C26 | C43 | sing | 1.52Å | 1.58Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| O11 | C27 | sing | 1.34Å | 1.33Å | |
| C27 | O12 | doub | 1.21Å | 1.19Å | |
| C27 | C28 | sing | 1.51Å | 1.55Å | |
| C28 | O13 | sing | 1.43Å | 1.41Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| O13 | HO11 | sing | 0.97Å | 0.95Å | |
| C29 | N01 | sing | 1.46Å | 1.46Å | |
| C29 | C37 | sing | 1.51Å | 1.54Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| N01 | C30 | sing | 1.35Å | 1.35Å | |
| N01 | HN01 | sing | 0.97Å | 1.02Å | |
| C30 | O14 | doub | 1.21Å | 1.23Å | |
| C30 | C31 | sing | 1.48Å | 1.49Å | |
| C31 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C36 | sing | 1.40Å | 1.45Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | H321 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | H331 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | H341 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | H351 | sing | 1.08Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| C38 | H381 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | H391 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C40 | H401 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | doub | 1.38Å | 1.42Å | Aromatic |
| C41 | H411 | sing | 1.08Å | 1.10Å | |
| C42 | H421 | sing | 1.08Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.12Å | |
| C43 | H432 | sing | 1.10Å | 1.11Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.11Å | |
| C45 | C46 | sing | 1.54Å | 1.60Å | |
| C45 | C47 | sing | 1.52Å | 1.55Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| C46 | H463 | sing | 1.09Å | 1.11Å | |
| C47 | H471 | sing | 1.09Å | 1.11Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C47 | H473 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O01 | H011 | 106.1° | 106.8° |
| O01 | C01 | C02 | 106.1° | 106.4° |
| O01 | C01 | C43 | 113.4° | 106.7° |
| O01 | C01 | C45 | 105.4° | 106.3° |
| C02 | C01 | C43 | 108.4° | 111.5° |
| C02 | C01 | C45 | 115.2° | 113.7° |
| C01 | C02 | O02 | 101.9° | 104.6° |
| C01 | C02 | C10 | 118.9° | 113.1° |
| C01 | C02 | H021 | 108.0° | 109.9° |
| C43 | C01 | C45 | 108.5° | 111.7° |
| C01 | C43 | C26 | 117.7° | 114.3° |
| C01 | C43 | H431 | 109.2° | 109.8° |
| C01 | C43 | H432 | 109.2° | 107.9° |
| C01 | C45 | C24 | 103.9° | 106.8° |
| C01 | C45 | C46 | 112.9° | 109.6° |
| C01 | C45 | C47 | 110.2° | 109.2° |
| O02 | C02 | C10 | 107.7° | 109.1° |
| O02 | C02 | H021 | 119.2° | 104.6° |
| C02 | O02 | C03 | 118.4° | 120.0° |
| C10 | C02 | H021 | 102.2° | 114.7° |
| C02 | C10 | C11 | 114.4° | 112.6° |
| C02 | C10 | C18 | 115.0° | 119.1° |
| C02 | C10 | H101 | 101.6° | 101.5° |
| O02 | C03 | O03 | 123.7° | 120.0° |
| O02 | C03 | C04 | 112.7° | 120.0° |
| O03 | C03 | C04 | 123.6° | 120.0° |
| C03 | C04 | C05 | 111.5° | 120.2° |
| C03 | C04 | C09 | 128.4° | 120.1° |
| C05 | C04 | C09 | 120.2° | 119.7° |
| C04 | C05 | C06 | 114.6° | 119.9° |
| C04 | C05 | H051 | 121.7° | 120.1° |
| C04 | C09 | C08 | 118.1° | 119.8° |
| C04 | C09 | H091 | 120.3° | 120.1° |
| C06 | C05 | H051 | 123.7° | 120.1° |
| C05 | C06 | C07 | 121.5° | 120.1° |
| C05 | C06 | H061 | 121.8° | 119.9° |
| C07 | C06 | H061 | 116.7° | 119.9° |
| C06 | C07 | C08 | 118.3° | 120.3° |
| C06 | C07 | HC71 | 126.9° | 119.8° |
| C08 | C07 | HC71 | 114.7° | 119.9° |
| C07 | C08 | C09 | 127.3° | 120.2° |
| C07 | C08 | H081 | 109.1° | 120.0° |
| C09 | C08 | H081 | 123.5° | 119.8° |
| C08 | C09 | H091 | 121.7° | 120.1° |
| C11 | C10 | C18 | 109.3° | 118.5° |
| C11 | C10 | H101 | 108.3° | 98.8° |
| C10 | C11 | O04 | 112.3° | 110.9° |
| C10 | C11 | C14 | 119.9° | 117.1° |
| C10 | C11 | C15 | 121.7° | 120.4° |
| C18 | C10 | H101 | 107.6° | 101.3° |
| C10 | C18 | C17 | 102.3° | 115.0° |
| C10 | C18 | C19 | 114.0° | 110.7° |
| C10 | C18 | C20 | 118.3° | 115.7° |
| O04 | C11 | C14 | 101.8° | 112.7° |
| O04 | C11 | C15 | 113.6° | 111.0° |
| C11 | O04 | C12 | 122.1° | 120.0° |
| C14 | C11 | C15 | 83.1° | 82.1° |
| C11 | C14 | O06 | 93.0° | 91.1° |
| C11 | C14 | H141 | 118.7° | 113.5° |
| C11 | C14 | H142 | 118.7° | 115.3° |
| C11 | C15 | O06 | 93.0° | 91.6° |
| C11 | C15 | C16 | 118.4° | 113.7° |
| C11 | C15 | H151 | 115.6° | 112.9° |
| O04 | C12 | O05 | 125.5° | 120.0° |
| O04 | C12 | C13 | 109.2° | 120.0° |
| O05 | C12 | C13 | 125.3° | 120.0° |
| C12 | C13 | H131 | 109.2° | 109.5° |
| C12 | C13 | H132 | 112.3° | 109.5° |
| C12 | C13 | H133 | 112.3° | 109.4° |
| H131 | C13 | H132 | 112.3° | 109.5° |
| H131 | C13 | H133 | 112.3° | 109.5° |
| H132 | C13 | H133 | 98.1° | 109.4° |
| O06 | C14 | H141 | 118.7° | 113.0° |
| O06 | C14 | H142 | 118.7° | 110.9° |
| C14 | O06 | C15 | 90.9° | 88.9° |
| H141 | C14 | H142 | 91.5° | 111.5° |
| O06 | C15 | C16 | 112.1° | 112.5° |
| O06 | C15 | H151 | 121.6° | 113.0° |
| C16 | C15 | H151 | 97.9° | 111.9° |
| C15 | C16 | C17 | 114.0° | 107.6° |
| C15 | C16 | H161 | 110.5° | 109.6° |
| C15 | C16 | H162 | 110.5° | 109.4° |
| C17 | C16 | H161 | 110.6° | 110.5° |
| C17 | C16 | H162 | 110.6° | 110.1° |
| C16 | C17 | O07 | 109.3° | 112.0° |
| C16 | C17 | C18 | 113.3° | 110.1° |
| C16 | C17 | H171 | 108.0° | 109.1° |
| H161 | C16 | H162 | 99.8° | 109.6° |
| O07 | C17 | C18 | 112.3° | 109.3° |
| O07 | C17 | H171 | 109.1° | 109.0° |
| C17 | O07 | H071 | 109.2° | 106.8° |
| C18 | C17 | H171 | 104.6° | 107.1° |
| C17 | C18 | C19 | 109.2° | 101.0° |
| C17 | C18 | C20 | 109.8° | 106.6° |
| C19 | C18 | C20 | 103.1° | 106.6° |
| C18 | C19 | H191 | 114.1° | 109.4° |
| C18 | C19 | H192 | 110.5° | 109.5° |
| C18 | C19 | H193 | 110.5° | 109.6° |
| C18 | C20 | O08 | 118.9° | 119.1° |
| C18 | C20 | C21 | 122.3° | 121.3° |
| H191 | C19 | H192 | 110.6° | 109.5° |
| H191 | C19 | H193 | 110.5° | 109.4° |
| H192 | C19 | H193 | 99.7° | 109.5° |
| O08 | C20 | C21 | 118.9° | 119.6° |
| C20 | C21 | O09 | 107.7° | 112.7° |
| C20 | C21 | C24 | 110.5° | 105.2° |
| C20 | C21 | H211 | 110.7° | 108.0° |
| O09 | C21 | C24 | 111.7° | 116.5° |
| O09 | C21 | H211 | 109.6° | 105.5° |
| C21 | O09 | C22 | 120.1° | 120.0° |
| C24 | C21 | H211 | 106.7° | 108.7° |
| C21 | C24 | C25 | 119.5° | 118.4° |
| C21 | C24 | C45 | 120.0° | 125.1° |
| O09 | C22 | O10 | 125.3° | 120.0° |
| O09 | C22 | C23 | 110.4° | 120.0° |
| O10 | C22 | C23 | 124.3° | 120.0° |
| C22 | C23 | H231 | 110.4° | 109.5° |
| C22 | C23 | H232 | 111.8° | 109.5° |
| C22 | C23 | H233 | 111.8° | 109.5° |
| H231 | C23 | H232 | 111.9° | 109.5° |
| H231 | C23 | H233 | 111.9° | 109.5° |
| H232 | C23 | H233 | 98.5° | 109.5° |
| C25 | C24 | C45 | 120.4° | 116.5° |
| C24 | C25 | C26 | 116.2° | 119.1° |
| C24 | C25 | C44 | 126.3° | 121.5° |
| C24 | C45 | C46 | 108.8° | 109.9° |
| C24 | C45 | C47 | 118.7° | 115.3° |
| C26 | C25 | C44 | 117.3° | 119.3° |
| C25 | C26 | O11 | 114.2° | 108.2° |
| C25 | C26 | C43 | 111.3° | 111.5° |
| C25 | C26 | H261 | 104.0° | 110.7° |
| C25 | C44 | H441 | 126.2° | 109.5° |
| C25 | C44 | H442 | 106.3° | 109.5° |
| C25 | C44 | H443 | 106.3° | 109.5° |
| O11 | C26 | C43 | 106.3° | 108.3° |
| O11 | C26 | H261 | 109.1° | 107.1° |
| C26 | O11 | C27 | 117.8° | 120.0° |
| C43 | C26 | H261 | 112.0° | 110.8° |
| C26 | C43 | H431 | 109.2° | 109.7° |
| C26 | C43 | H432 | 109.2° | 108.0° |
| O11 | C27 | O12 | 127.5° | 120.0° |
| O11 | C27 | C28 | 110.2° | 120.0° |
| O12 | C27 | C28 | 122.3° | 120.0° |
| C27 | C28 | O13 | 108.0° | 109.5° |
| C27 | C28 | C29 | 108.3° | 109.5° |
| C27 | C28 | H281 | 112.5° | 109.5° |
| O13 | C28 | C29 | 112.8° | 109.5° |
| O13 | C28 | H281 | 107.9° | 109.5° |
| C28 | O13 | HO11 | 107.9° | 106.8° |
| C29 | C28 | H281 | 107.5° | 109.5° |
| C28 | C29 | N01 | 107.0° | 109.5° |
| C28 | C29 | C37 | 111.4° | 109.5° |
| C28 | C29 | H291 | 111.7° | 109.4° |
| N01 | C29 | C37 | 114.3° | 109.5° |
| N01 | C29 | H291 | 108.6° | 109.5° |
| C29 | N01 | C30 | 123.0° | 120.0° |
| C29 | N01 | HN01 | 122.5° | 120.0° |
| C37 | C29 | H291 | 103.9° | 109.5° |
| C29 | C37 | C38 | 118.0° | 120.0° |
| C29 | C37 | C42 | 123.0° | 120.0° |
| C30 | N01 | HN01 | 114.5° | 120.0° |
| N01 | C30 | O14 | 123.2° | 120.0° |
| N01 | C30 | C31 | 114.0° | 120.0° |
| O14 | C30 | C31 | 122.8° | 120.0° |
| C30 | C31 | C32 | 123.9° | 120.2° |
| C30 | C31 | C36 | 117.8° | 120.2° |
| C32 | C31 | C36 | 118.4° | 119.6° |
| C31 | C32 | C33 | 121.1° | 119.9° |
| C31 | C32 | H321 | 118.5° | 120.1° |
| C31 | C36 | C35 | 120.1° | 119.9° |
| C31 | C36 | H361 | 121.6° | 120.0° |
| C33 | C32 | H321 | 120.4° | 120.0° |
| C32 | C33 | C34 | 119.5° | 120.2° |
| C32 | C33 | H331 | 120.2° | 119.9° |
| C34 | C33 | H331 | 120.3° | 119.9° |
| C33 | C34 | C35 | 119.8° | 120.3° |
| C33 | C34 | H341 | 121.4° | 119.9° |
| C35 | C34 | H341 | 118.7° | 119.9° |
| C34 | C35 | C36 | 121.1° | 120.2° |
| C34 | C35 | H351 | 119.0° | 119.9° |
| C36 | C35 | H351 | 119.9° | 119.9° |
| C35 | C36 | H361 | 118.3° | 120.1° |
| C38 | C37 | C42 | 119.0° | 120.0° |
| C37 | C38 | C39 | 120.7° | 120.0° |
| C37 | C38 | H381 | 119.1° | 119.9° |
| C37 | C42 | C41 | 119.9° | 120.0° |
| C37 | C42 | H421 | 119.4° | 119.9° |
| C39 | C38 | H381 | 120.2° | 120.1° |
| C38 | C39 | C40 | 119.7° | 120.0° |
| C38 | C39 | H391 | 120.6° | 120.0° |
| C40 | C39 | H391 | 119.7° | 120.0° |
| C39 | C40 | C41 | 119.8° | 120.0° |
| C39 | C40 | H401 | 120.9° | 120.0° |
| C41 | C40 | H401 | 119.3° | 120.0° |
| C40 | C41 | C42 | 120.9° | 120.0° |
| C40 | C41 | H411 | 118.1° | 120.0° |
| C42 | C41 | H411 | 121.1° | 120.0° |
| C41 | C42 | H421 | 120.7° | 120.0° |
| H431 | C43 | H432 | 100.8° | 106.8° |
| H441 | C44 | H442 | 106.3° | 109.4° |
| H441 | C44 | H443 | 106.3° | 109.5° |
| H442 | C44 | H443 | 103.3° | 109.4° |
| C46 | C45 | C47 | 102.6° | 106.0° |
| C45 | C46 | H461 | 112.9° | 109.4° |
| C45 | C46 | H462 | 110.9° | 109.4° |
| C45 | C46 | H463 | 110.9° | 109.4° |
| C45 | C47 | H471 | 110.2° | 109.5° |
| C45 | C47 | H472 | 111.9° | 109.5° |
| C45 | C47 | H473 | 111.9° | 109.4° |
| H461 | C46 | H462 | 111.0° | 109.5° |
| H461 | C46 | H463 | 111.0° | 109.5° |
| H462 | C46 | H463 | 99.4° | 109.5° |
| H471 | C47 | H472 | 112.0° | 109.5° |
| H471 | C47 | H473 | 111.9° | 109.4° |
| H472 | C47 | H473 | 98.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C01 | C02 | C43 | 122.1° | 116.0° |
| O01 | C01 | C02 | C45 | 116.2° | 116.7° |
| O01 | C01 | C43 | C45 | 116.7° | 115.8° |
| O01 | C01 | C02 | O02 | 59.8° | 57.4° |
| O01 | C01 | C02 | C10 | 177.9° | 176.0° |
| O01 | C01 | C02 | H021 | 66.5° | 54.4° |
| O01 | C01 | C45 | C24 | 177.9° | 174.7° |
| O01 | C01 | C43 | C26 | 132.0° | 131.6° |
| O01 | C01 | C43 | H431 | 102.7° | 104.6° |
| O01 | C01 | C43 | H432 | 6.7° | 11.4° |
| O01 | C01 | C45 | C46 | 60.1° | 55.7° |
| O01 | C01 | C45 | C47 | 54.0° | 60.0° |
| H011 | O01 | C01 | C02 | 180.0° | 60.0° |
| H011 | O01 | C01 | C43 | 61.1° | 59.2° |
| H011 | O01 | C01 | C45 | 57.4° | 178.5° |
| C02 | C01 | C43 | C45 | 125.7° | 128.4° |
| C01 | C02 | O02 | C10 | 125.9° | 121.3° |
| C01 | C02 | O02 | H021 | 118.6° | 115.6° |
| C01 | C02 | C10 | H021 | 118.7° | 127.1° |
| C01 | C02 | O02 | C03 | 108.1° | 88.7° |
| C01 | C02 | C10 | C11 | 135.0° | 114.2° |
| C01 | C02 | C10 | C18 | 97.2° | 100.6° |
| C01 | C02 | C10 | H101 | 18.6° | 9.4° |
| C02 | C01 | C45 | C24 | 65.5° | 68.5° |
| C02 | C01 | C43 | C26 | 110.5° | 112.6° |
| C02 | C01 | C43 | H431 | 14.8° | 11.2° |
| C02 | C01 | C43 | H432 | 124.2° | 127.3° |
| C02 | C01 | C45 | C46 | 176.7° | 172.5° |
| C02 | C01 | C45 | C47 | 62.6° | 56.7° |
| C43 | C01 | C02 | O02 | 62.3° | 58.6° |
| C43 | C01 | C02 | C10 | 55.8° | 60.0° |
| C43 | C01 | C02 | H021 | 171.4° | 170.4° |
| C43 | C01 | C45 | C24 | 56.1° | 58.8° |
| C01 | C43 | C26 | C25 | 35.6° | 32.3° |
| C01 | C43 | C26 | O11 | 160.5° | 151.2° |
| C01 | C43 | C26 | H431 | 125.3° | 123.9° |
| C01 | C43 | C26 | H432 | 125.3° | 120.1° |
| C01 | C43 | C26 | H261 | 80.4° | 91.5° |
| C01 | C43 | H431 | H432 | 115.0° | 116.7° |
| C43 | C01 | C45 | C46 | 61.6° | 60.2° |
| C43 | C01 | C45 | C47 | 175.7° | 176.0° |
| C45 | C01 | C02 | O02 | 176.0° | 174.0° |
| C45 | C01 | C02 | C10 | 65.9° | 67.3° |
| C45 | C01 | C02 | H021 | 49.7° | 62.2° |
| C01 | C45 | C24 | C21 | 121.8° | 124.6° |
| C01 | C45 | C24 | C25 | 54.5° | 54.7° |
| C01 | C45 | C24 | C46 | 120.6° | 118.8° |
| C01 | C45 | C24 | C47 | 122.8° | 121.5° |
| C45 | C01 | C43 | C26 | 15.2° | 15.8° |
| C45 | C01 | C43 | H431 | 140.5° | 139.6° |
| C45 | C01 | C43 | H432 | 110.1° | 104.3° |
| C01 | C45 | C46 | C47 | 118.6° | 117.7° |
| C01 | C45 | C46 | H461 | 180.0° | 48.8° |
| C01 | C45 | C46 | H462 | 54.7° | 71.2° |
| C01 | C45 | C46 | H463 | 54.7° | 168.8° |
| C01 | C45 | C47 | H471 | 179.9° | 165.3° |
| C01 | C45 | C47 | H472 | 54.7° | 74.8° |
| C01 | C45 | C47 | H473 | 54.8° | 45.3° |
| O02 | C02 | C10 | H021 | 126.3° | 116.9° |
| C02 | O02 | C03 | O03 | 2.0° | 0.0° |
| C02 | O02 | C03 | C04 | 179.3° | 180.0° |
| O02 | C02 | C10 | C11 | 20.0° | 1.9° |
| O02 | C02 | C10 | C18 | 147.8° | 143.4° |
| O02 | C02 | C10 | H101 | 96.4° | 106.6° |
| C10 | C02 | O02 | C03 | 126.1° | 150.0° |
| C02 | C10 | C11 | C18 | 130.6° | 145.5° |
| C02 | C10 | C11 | H101 | 112.4° | 106.5° |
| C02 | C10 | C18 | H101 | 112.3° | 110.1° |
| C02 | C10 | C11 | O04 | 63.3° | 79.8° |
| C02 | C10 | C11 | C14 | 56.0° | 51.4° |
| C02 | C10 | C11 | C15 | 157.1° | 148.3° |
| C02 | C10 | C18 | C17 | 173.7° | 129.9° |
| C02 | C10 | C18 | C19 | 68.5° | 16.3° |
| C02 | C10 | C18 | C20 | 52.9° | 105.1° |
| H021 | C02 | O02 | C03 | 10.5° | 26.9° |
| H021 | C02 | C10 | C11 | 106.3° | 118.7° |
| H021 | C02 | C10 | C18 | 21.5° | 26.5° |
| H021 | C02 | C10 | H101 | 137.3° | 136.5° |
| O02 | C03 | O03 | C04 | 178.6° | 180.0° |
| O02 | C03 | C04 | C05 | 133.2° | 180.0° |
| O02 | C03 | C04 | C09 | 47.1° | 0.3° |
| O03 | C03 | C04 | C05 | 48.1° | 0.0° |
| O03 | C03 | C04 | C09 | 131.6° | 179.7° |
| C03 | C04 | C05 | C09 | 179.8° | 179.7° |
| C03 | C04 | C05 | C06 | 179.7° | 179.9° |
| C03 | C04 | C05 | H051 | 0.3° | 0.1° |
| C03 | C04 | C09 | C08 | 179.7° | 179.7° |
| C03 | C04 | C09 | H091 | 0.3° | 0.4° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C04 | C05 | C06 | H061 | 180.0° | 180.0° |
| C05 | C04 | C09 | C08 | 0.0° | 0.6° |
| C05 | C04 | C09 | H091 | 180.0° | 180.0° |
| C09 | C04 | C05 | C06 | 0.0° | 0.3° |
| C09 | C04 | C05 | H051 | 179.9° | 179.7° |
| C04 | C09 | C08 | C07 | 0.1° | 0.6° |
| C04 | C09 | C08 | H091 | 180.0° | 179.4° |
| C04 | C09 | C08 | H081 | 179.9° | 179.6° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.2° | 0.1° |
| C05 | C06 | C07 | HC71 | 179.9° | 180.0° |
| H051 | C05 | C06 | C07 | 180.0° | 180.0° |
| H051 | C05 | C06 | H061 | 0.0° | 0.0° |
| C06 | C07 | C08 | HC71 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.2° | 0.3° |
| C06 | C07 | C08 | H081 | 179.8° | 180.0° |
| H061 | C06 | C07 | C08 | 179.8° | 180.0° |
| H061 | C06 | C07 | HC71 | 0.1° | 0.1° |
| C07 | C08 | C09 | H081 | 180.0° | 179.8° |
| C07 | C08 | C09 | H091 | 179.9° | 180.0° |
| HC71 | C07 | C08 | C09 | 179.8° | 179.7° |
| HC71 | C07 | C08 | H081 | 0.2° | 0.1° |
| H081 | C08 | C09 | H091 | 0.1° | 0.3° |
| C11 | C10 | C18 | H101 | 117.4° | 106.6° |
| C10 | C11 | O04 | C14 | 129.4° | 133.5° |
| C10 | C11 | O04 | C15 | 143.0° | 136.5° |
| C10 | C11 | C14 | C15 | 122.7° | 120.1° |
| C10 | C11 | O04 | C12 | 68.1° | 173.6° |
| C10 | C11 | C14 | O06 | 122.5° | 101.8° |
| C10 | C11 | C14 | H141 | 2.7° | 142.4° |
| C10 | C11 | C14 | H142 | 112.3° | 11.9° |
| C10 | C11 | C15 | O06 | 120.8° | 98.5° |
| C10 | C11 | C15 | C16 | 3.6° | 16.9° |
| C10 | C11 | C15 | H151 | 111.9° | 145.7° |
| C11 | C10 | C18 | C17 | 56.0° | 13.4° |
| C11 | C10 | C18 | C19 | 61.7° | 127.0° |
| C11 | C10 | C18 | C20 | 176.8° | 111.6° |
| C18 | C10 | C11 | O04 | 166.1° | 134.7° |
| C18 | C10 | C11 | C14 | 74.6° | 94.1° |
| C18 | C10 | C11 | C15 | 26.4° | 2.8° |
| C10 | C18 | C17 | C16 | 72.8° | 49.2° |
| C10 | C18 | C17 | O07 | 162.7° | 74.3° |
| C10 | C18 | C17 | C19 | 121.2° | 119.2° |
| C10 | C18 | C17 | C20 | 126.5° | 129.6° |
| C10 | C18 | C17 | H171 | 44.5° | 167.7° |
| C10 | C18 | C19 | C20 | 129.6° | 126.6° |
| C10 | C18 | C19 | H191 | 180.0° | 84.3° |
| C10 | C18 | C19 | H192 | 54.7° | 35.7° |
| C10 | C18 | C19 | H193 | 54.7° | 155.8° |
| C10 | C18 | C20 | O08 | 128.4° | 114.2° |
| C10 | C18 | C20 | C21 | 50.7° | 66.2° |
| H101 | C10 | C11 | O04 | 49.1° | 26.7° |
| H101 | C10 | C11 | C14 | 168.4° | 157.9° |
| H101 | C10 | C11 | C15 | 90.5° | 105.2° |
| H101 | C10 | C18 | C17 | 61.4° | 120.0° |
| H101 | C10 | C18 | C19 | 179.1° | 126.4° |
| H101 | C10 | C18 | C20 | 59.4° | 5.0° |
| O04 | C11 | C14 | C15 | 112.8° | 109.5° |
| C11 | O04 | C12 | O05 | 0.3° | 5.8° |
| C11 | O04 | C12 | C13 | 179.4° | 174.2° |
| O04 | C11 | C14 | O06 | 113.0° | 127.8° |
| O04 | C11 | C14 | H141 | 121.8° | 12.0° |
| O04 | C11 | C14 | H142 | 12.2° | 118.4° |
| O04 | C11 | C15 | O06 | 100.1° | 129.7° |
| O04 | C11 | C15 | C16 | 142.8° | 114.9° |
| O04 | C11 | C15 | H151 | 27.3° | 13.9° |
| C14 | C11 | O04 | C12 | 162.5° | 53.0° |
| C11 | C14 | O06 | H141 | 125.3° | 116.2° |
| C11 | C14 | O06 | H142 | 125.3° | 117.7° |
| C11 | C14 | H141 | H142 | 124.2° | 132.3° |
| C14 | C11 | C15 | O06 | 0.2° | 18.4° |
| C14 | C11 | C15 | C16 | 117.4° | 133.8° |
| C14 | C11 | C15 | H151 | 127.1° | 97.4° |
| C15 | C11 | O04 | C12 | 75.0° | 37.0° |
| C15 | C11 | C14 | H141 | 125.5° | 97.4° |
| C15 | C11 | C14 | H142 | 125.0° | 132.1° |
| C11 | C15 | O06 | C16 | 122.3° | 116.5° |
| C11 | C15 | O06 | H151 | 122.7° | 115.7° |
| C11 | C15 | C16 | H151 | 124.8° | 129.3° |
| C11 | C15 | C16 | C17 | 14.4° | 51.1° |
| C11 | C15 | C16 | H161 | 110.9° | 69.0° |
| C11 | C15 | C16 | H162 | 139.6° | 170.7° |
| O04 | C12 | O05 | C13 | 179.7° | 180.0° |
| O04 | C12 | C13 | H131 | 180.0° | 180.0° |
| O04 | C12 | C13 | H132 | 54.7° | 60.0° |
| O04 | C12 | C13 | H133 | 54.7° | 60.0° |
| O05 | C12 | C13 | H131 | 0.3° | 0.0° |
| O05 | C12 | C13 | H132 | 125.0° | 120.0° |
| O05 | C12 | C13 | H133 | 125.6° | 120.0° |
| C12 | C13 | H131 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H133 | 125.3° | 120.0° |
| C12 | C13 | H132 | H133 | 118.3° | 120.0° |
| H131 | C13 | H132 | H133 | 118.2° | 120.0° |
| O06 | C14 | H141 | H142 | 124.2° | 125.7° |
| C14 | O06 | C15 | C16 | 122.6° | 135.9° |
| C14 | O06 | C15 | H151 | 122.4° | 96.2° |
| H141 | C14 | O06 | C15 | 125.5° | 96.9° |
| H142 | C14 | O06 | C15 | 125.0° | 137.1° |
| O06 | C15 | C16 | H151 | 128.8° | 128.4° |
| O06 | C15 | C16 | C17 | 120.8° | 51.2° |
| O06 | C15 | C16 | H161 | 4.4° | 171.3° |
| O06 | C15 | C16 | H162 | 113.9° | 68.4° |
| C15 | C16 | C17 | H161 | 125.2° | 119.6° |
| C15 | C16 | C17 | H162 | 125.2° | 119.2° |
| C15 | C16 | H161 | H162 | 116.4° | 120.1° |
| C15 | C16 | C17 | O07 | 178.1° | 53.9° |
| C15 | C16 | C17 | C18 | 52.0° | 68.0° |
| C15 | C16 | C17 | H171 | 63.4° | 174.7° |
| H151 | C15 | C16 | C17 | 110.4° | 179.6° |
| H151 | C15 | C16 | H161 | 124.3° | 60.3° |
| H151 | C15 | C16 | H162 | 14.9° | 60.0° |
| C17 | C16 | H161 | H162 | 116.5° | 121.5° |
| C16 | C17 | O07 | C18 | 126.7° | 122.3° |
| C16 | C17 | O07 | H171 | 117.8° | 120.9° |
| C16 | C17 | C18 | H171 | 117.3° | 118.5° |
| C16 | C17 | O07 | H071 | 180.0° | 57.7° |
| C16 | C17 | C18 | C19 | 48.3° | 168.4° |
| C16 | C17 | C18 | C20 | 160.7° | 80.4° |
| H161 | C16 | C17 | O07 | 52.8° | 173.5° |
| H161 | C16 | C17 | C18 | 73.3° | 51.6° |
| H161 | C16 | C17 | H171 | 171.4° | 65.7° |
| H162 | C16 | C17 | O07 | 56.7° | 65.2° |
| H162 | C16 | C17 | C18 | 177.2° | 172.9° |
| H162 | C16 | C17 | H171 | 61.9° | 55.6° |
| O07 | C17 | C18 | H171 | 118.2° | 118.0° |
| O07 | C17 | C18 | C19 | 76.1° | 44.9° |
| O07 | C17 | C18 | C20 | 36.2° | 156.1° |
| C18 | C17 | O07 | H071 | 53.3° | 180.0° |
| C17 | C18 | C19 | C20 | 116.7° | 111.2° |
| C17 | C18 | C19 | H191 | 66.2° | 153.5° |
| C17 | C18 | C19 | H192 | 168.4° | 86.5° |
| C17 | C18 | C19 | H193 | 59.0° | 33.6° |
| C17 | C18 | C20 | O08 | 114.7° | 15.0° |
| C17 | C18 | C20 | C21 | 66.2° | 164.6° |
| H171 | C17 | O07 | H071 | 62.2° | 63.2° |
| H171 | C17 | C18 | C19 | 165.7° | 73.1° |
| H171 | C17 | C18 | C20 | 82.0° | 38.1° |
| C18 | C19 | H191 | H192 | 125.3° | 120.0° |
| C18 | C19 | H191 | H193 | 125.3° | 120.0° |
| C18 | C19 | H192 | H193 | 116.4° | 120.1° |
| C19 | C18 | C20 | O08 | 1.5° | 122.2° |
| C19 | C18 | C20 | C21 | 177.6° | 57.4° |
| C20 | C18 | C19 | H191 | 50.5° | 42.4° |
| C20 | C18 | C19 | H192 | 74.9° | 162.3° |
| C20 | C18 | C19 | H193 | 175.7° | 77.6° |
| C18 | C20 | O08 | C21 | 179.1° | 179.6° |
| C18 | C20 | C21 | O09 | 179.0° | 75.8° |
| C18 | C20 | C21 | C24 | 56.8° | 52.2° |
| C18 | C20 | C21 | H211 | 61.2° | 168.1° |
| H191 | C19 | H192 | H193 | 116.3° | 119.9° |
| O08 | C20 | C21 | O09 | 0.1° | 103.8° |
| O08 | C20 | C21 | C24 | 122.3° | 128.2° |
| O08 | C20 | C21 | H211 | 119.7° | 12.3° |
| C20 | C21 | O09 | C24 | 121.4° | 121.7° |
| C20 | C21 | O09 | H211 | 120.5° | 117.6° |
| C20 | C21 | C24 | H211 | 120.4° | 115.4° |
| C20 | C21 | O09 | C22 | 112.3° | 87.5° |
| C20 | C21 | C24 | C25 | 115.6° | 71.4° |
| C20 | C21 | C24 | C45 | 60.7° | 107.8° |
| O09 | C21 | C24 | H211 | 119.7° | 119.0° |
| C21 | O09 | C22 | O10 | 0.2° | 0.1° |
| C21 | O09 | C22 | C23 | 179.7° | 180.0° |
| O09 | C21 | C24 | C25 | 124.5° | 163.0° |
| O09 | C21 | C24 | C45 | 59.1° | 17.8° |
| C24 | C21 | O09 | C22 | 126.3° | 150.8° |
| C21 | C24 | C25 | C45 | 176.3° | 179.3° |
| C21 | C24 | C25 | C26 | 173.2° | 174.8° |
| C21 | C24 | C25 | C44 | 2.4° | 6.2° |
| C21 | C24 | C45 | C46 | 117.6° | 116.7° |
| C21 | C24 | C45 | C47 | 1.0° | 3.1° |
| H211 | C21 | O09 | C22 | 8.3° | 30.1° |
| H211 | C21 | C24 | C25 | 4.8° | 44.0° |
| H211 | C21 | C24 | C45 | 178.9° | 136.8° |
| O09 | C22 | O10 | C23 | 179.8° | 179.9° |
| O09 | C22 | C23 | H231 | 180.0° | 180.0° |
| O09 | C22 | C23 | H232 | 54.7° | 59.9° |
| O09 | C22 | C23 | H233 | 54.7° | 60.0° |
| O10 | C22 | C23 | H231 | 0.2° | 0.0° |
| O10 | C22 | C23 | H232 | 125.4° | 120.0° |
| O10 | C22 | C23 | H233 | 125.1° | 120.0° |
| C22 | C23 | H231 | H232 | 125.2° | 120.0° |
| C22 | C23 | H231 | H233 | 125.3° | 120.0° |
| C22 | C23 | H232 | H233 | 117.7° | 120.0° |
| H231 | C23 | H232 | H233 | 117.8° | 120.0° |
| C24 | C25 | C26 | C44 | 176.0° | 179.0° |
| C24 | C25 | C26 | O11 | 164.1° | 159.6° |
| C24 | C25 | C26 | C43 | 43.7° | 40.6° |
| C24 | C25 | C26 | H261 | 77.1° | 83.3° |
| C24 | C25 | C44 | H441 | 180.0° | 179.0° |
| C24 | C25 | C44 | H442 | 54.7° | 59.0° |
| C24 | C25 | C44 | H443 | 54.8° | 60.9° |
| C25 | C24 | C45 | C46 | 66.1° | 64.1° |
| C25 | C24 | C45 | C47 | 177.3° | 176.2° |
| C45 | C24 | C25 | C26 | 3.1° | 4.5° |
| C45 | C24 | C25 | C44 | 178.7° | 174.5° |
| C24 | C45 | C46 | C47 | 126.5° | 125.2° |
| C24 | C45 | C46 | H461 | 65.1° | 68.2° |
| C24 | C45 | C46 | H462 | 60.1° | 171.8° |
| C24 | C45 | C46 | H463 | 169.6° | 51.8° |
| C24 | C45 | C47 | H471 | 60.4° | 45.1° |
| C24 | C45 | C47 | H472 | 174.3° | 165.1° |
| C24 | C45 | C47 | H473 | 64.8° | 74.8° |
| C25 | C26 | O11 | C43 | 123.2° | 121.1° |
| C25 | C26 | O11 | H261 | 115.8° | 119.3° |
| C25 | C26 | C43 | H261 | 115.9° | 123.8° |
| C25 | C26 | O11 | C27 | 93.8° | 88.9° |
| C25 | C26 | C43 | H431 | 89.7° | 91.6° |
| C25 | C26 | C43 | H432 | 160.9° | 152.3° |
| C26 | C25 | C44 | H441 | 4.4° | 0.0° |
| C26 | C25 | C44 | H442 | 129.7° | 120.0° |
| C26 | C25 | C44 | H443 | 120.8° | 120.1° |
| C44 | C25 | C26 | O11 | 11.9° | 21.3° |
| C44 | C25 | C26 | C43 | 132.3° | 140.4° |
| C44 | C25 | C26 | H261 | 106.9° | 95.8° |
| C25 | C44 | H441 | H442 | 125.3° | 120.0° |
| C25 | C44 | H441 | H443 | 125.2° | 120.0° |
| C25 | C44 | H442 | H443 | 111.6° | 120.0° |
| O11 | C26 | C43 | H261 | 119.1° | 117.2° |
| C26 | O11 | C27 | O12 | 0.6° | 0.0° |
| C26 | O11 | C27 | C28 | 178.7° | 179.9° |
| O11 | C26 | C43 | H431 | 35.2° | 27.4° |
| O11 | C26 | C43 | H432 | 74.2° | 88.7° |
| C43 | C26 | O11 | C27 | 143.0° | 150.0° |
| C26 | C43 | H431 | H432 | 115.0° | 116.8° |
| H261 | C26 | O11 | C27 | 22.0° | 30.4° |
| H261 | C26 | C43 | H431 | 154.4° | 144.6° |
| H261 | C26 | C43 | H432 | 44.9° | 28.6° |
| O11 | C27 | O12 | C28 | 179.2° | 179.9° |
| O11 | C27 | C28 | O13 | 178.1° | 180.0° |
| O11 | C27 | C28 | C29 | 55.7° | 60.0° |
| O11 | C27 | C28 | H281 | 63.0° | 60.0° |
| O12 | C27 | C28 | O13 | 1.2° | 0.1° |
| O12 | C27 | C28 | C29 | 123.7° | 119.9° |
| O12 | C27 | C28 | H281 | 117.7° | 120.0° |
| C27 | C28 | O13 | C29 | 119.6° | 120.0° |
| C27 | C28 | O13 | H281 | 121.8° | 120.0° |
| C27 | C28 | C29 | H281 | 121.8° | 120.0° |
| C27 | C28 | O13 | HO11 | 180.0° | 60.1° |
| C27 | C28 | C29 | N01 | 52.4° | 60.0° |
| C27 | C28 | C29 | C37 | 178.0° | 180.0° |
| C27 | C28 | C29 | H291 | 66.3° | 60.0° |
| O13 | C28 | C29 | H281 | 118.8° | 120.0° |
| O13 | C28 | C29 | N01 | 67.0° | 60.0° |
| O13 | C28 | C29 | C37 | 58.5° | 60.0° |
| O13 | C28 | C29 | H291 | 174.3° | 180.0° |
| C29 | C28 | O13 | HO11 | 60.4° | 60.0° |
| C28 | C29 | N01 | C37 | 123.8° | 120.0° |
| C28 | C29 | N01 | H291 | 120.7° | 119.9° |
| C28 | C29 | C37 | H291 | 120.4° | 120.0° |
| C28 | C29 | N01 | C30 | 153.4° | 150.0° |
| C28 | C29 | N01 | HN01 | 26.6° | 30.1° |
| C28 | C29 | C37 | C38 | 92.2° | 120.0° |
| C28 | C29 | C37 | C42 | 87.7° | 60.3° |
| H281 | C28 | O13 | HO11 | 58.2° | 179.9° |
| H281 | C28 | C29 | N01 | 174.2° | 180.0° |
| H281 | C28 | C29 | C37 | 60.3° | 60.0° |
| H281 | C28 | C29 | H291 | 55.5° | 60.0° |
| N01 | C29 | C37 | H291 | 118.2° | 120.0° |
| C29 | N01 | C30 | HN01 | 180.0° | 179.9° |
| C29 | N01 | C30 | O14 | 1.0° | 0.0° |
| C29 | N01 | C30 | C31 | 177.7° | 180.0° |
| N01 | C29 | C37 | C38 | 146.4° | 120.0° |
| N01 | C29 | C37 | C42 | 33.7° | 59.7° |
| C37 | C29 | N01 | C30 | 82.8° | 90.0° |
| C37 | C29 | N01 | HN01 | 97.2° | 90.0° |
| C29 | C37 | C38 | C42 | 179.9° | 179.7° |
| C29 | C37 | C38 | C39 | 179.7° | 180.0° |
| C29 | C37 | C38 | H381 | 0.4° | 0.1° |
| C29 | C37 | C42 | C41 | 179.7° | 179.8° |
| C29 | C37 | C42 | H421 | 0.3° | 0.3° |
| H291 | C29 | N01 | C30 | 32.7° | 30.1° |
| H291 | C29 | N01 | HN01 | 147.3° | 150.0° |
| H291 | C29 | C37 | C38 | 28.3° | 0.1° |
| H291 | C29 | C37 | C42 | 151.8° | 179.8° |
| N01 | C30 | O14 | C31 | 178.6° | 180.0° |
| N01 | C30 | C31 | C32 | 60.9° | 180.0° |
| N01 | C30 | C31 | C36 | 118.4° | 0.2° |
| HN01 | N01 | C30 | O14 | 179.0° | 180.0° |
| HN01 | N01 | C30 | C31 | 2.3° | 0.1° |
| O14 | C30 | C31 | C32 | 120.4° | 0.0° |
| O14 | C30 | C31 | C36 | 60.3° | 179.7° |
| C30 | C31 | C32 | C36 | 179.3° | 179.8° |
| C30 | C31 | C32 | C33 | 179.5° | 180.0° |
| C30 | C31 | C32 | H321 | 0.5° | 0.0° |
| C30 | C31 | C36 | C35 | 179.6° | 179.7° |
| C30 | C31 | C36 | H361 | 0.5° | 0.2° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.1° |
| C31 | C32 | C33 | H331 | 179.9° | 180.0° |
| C32 | C31 | C36 | C35 | 0.2° | 0.5° |
| C32 | C31 | C36 | H361 | 179.8° | 180.0° |
| C36 | C31 | C32 | C33 | 0.2° | 0.2° |
| C36 | C31 | C32 | H321 | 179.9° | 179.7° |
| C31 | C36 | C35 | C34 | 0.2° | 0.6° |
| C31 | C36 | C35 | H361 | 180.0° | 179.5° |
| C31 | C36 | C35 | H351 | 179.8° | 179.8° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H341 | 179.9° | 179.9° |
| H321 | C32 | C33 | C34 | 179.9° | 180.0° |
| H321 | C32 | C33 | H331 | 0.1° | 0.1° |
| C33 | C34 | C35 | H341 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.3° |
| C33 | C34 | C35 | H351 | 179.9° | 180.0° |
| H331 | C33 | C34 | C35 | 179.9° | 179.9° |
| H331 | C33 | C34 | H341 | 0.1° | 0.0° |
| C34 | C35 | C36 | H351 | 180.0° | 179.7° |
| C34 | C35 | C36 | H361 | 179.9° | 180.0° |
| H341 | C34 | C35 | C36 | 179.9° | 179.8° |
| H341 | C34 | C35 | H351 | 0.1° | 0.1° |
| H351 | C35 | C36 | H361 | 0.1° | 0.3° |
| C37 | C38 | C39 | H381 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.2° | 0.1° |
| C37 | C38 | C39 | H391 | 179.8° | 179.9° |
| C38 | C37 | C42 | C41 | 0.2° | 0.5° |
| C38 | C37 | C42 | H421 | 179.8° | 179.9° |
| C42 | C37 | C38 | C39 | 0.2° | 0.3° |
| C42 | C37 | C38 | H381 | 179.7° | 179.8° |
| C37 | C42 | C41 | C40 | 0.0° | 0.5° |
| C37 | C42 | C41 | H421 | 179.9° | 179.6° |
| C37 | C42 | C41 | H411 | 180.0° | 179.8° |
| C38 | C39 | C40 | H391 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.0° | 0.1° |
| C38 | C39 | C40 | H401 | 179.9° | 180.0° |
| H381 | C38 | C39 | C40 | 179.8° | 179.9° |
| H381 | C38 | C39 | H391 | 0.2° | 0.1° |
| C39 | C40 | C41 | H401 | 179.9° | 179.9° |
| C39 | C40 | C41 | C42 | 0.0° | 0.2° |
| C39 | C40 | C41 | H411 | 179.9° | 180.0° |
| H391 | C39 | C40 | C41 | 180.0° | 180.0° |
| H391 | C39 | C40 | H401 | 0.1° | 0.1° |
| C40 | C41 | C42 | H411 | 180.0° | 179.8° |
| C40 | C41 | C42 | H421 | 179.9° | 180.0° |
| H401 | C40 | C41 | C42 | 180.0° | 179.8° |
| H401 | C40 | C41 | H411 | 0.0° | 0.1° |
| H411 | C41 | C42 | H421 | 0.0° | 0.2° |
| H441 | C44 | H442 | H443 | 111.7° | 120.0° |
| C45 | C46 | H461 | H462 | 125.2° | 120.0° |
| C45 | C46 | H461 | H463 | 125.3° | 120.0° |
| C45 | C46 | H462 | H463 | 116.8° | 120.0° |
| C46 | C45 | C47 | H471 | 59.5° | 76.8° |
| C46 | C45 | C47 | H472 | 65.8° | 43.2° |
| C46 | C45 | C47 | H473 | 175.3° | 163.3° |
| C47 | C45 | C46 | H461 | 61.4° | 166.5° |
| C47 | C45 | C46 | H462 | 173.3° | 46.5° |
| C47 | C45 | C46 | H463 | 63.9° | 73.4° |
| C45 | C47 | H471 | H472 | 125.3° | 120.0° |
| C45 | C47 | H471 | H473 | 125.2° | 119.9° |
| C45 | C47 | H472 | H473 | 117.8° | 120.0° |
| H461 | C46 | H462 | H463 | 116.9° | 120.1° |
| H471 | C47 | H472 | H473 | 117.8° | 120.0° |
