750
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.48Å | |
| C1 | C6 | sing | 1.53Å | 1.58Å | |
| C1 | HC11 | sing | 1.09Å | 1.11Å | |
| C1 | HC12 | sing | 1.09Å | 1.11Å | |
| O2 | C3 | sing | 1.43Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C3 | HC31 | sing | 1.09Å | 1.11Å | |
| C3 | HC32 | sing | 1.09Å | 1.11Å | |
| C4 | N5 | sing | 1.47Å | 1.54Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| N5 | C6 | sing | 1.47Å | 1.53Å | |
| N5 | C7 | sing | 1.47Å | 1.53Å | |
| C6 | HC61 | sing | 1.09Å | 1.11Å | |
| C6 | HC62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | HC71 | sing | 1.09Å | 1.11Å | |
| C7 | HC72 | sing | 1.09Å | 1.12Å | |
| C8 | O9 | sing | 1.43Å | 1.48Å | |
| C8 | HC81 | sing | 1.09Å | 1.12Å | |
| C8 | HC82 | sing | 1.09Å | 1.11Å | |
| O9 | C10 | sing | 1.36Å | 1.42Å | |
| C10 | C11 | doub | 1.38Å | 1.44Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.44Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.41Å | 1.45Å | Aromatic |
| C12 | C16 | sing | 1.46Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | O18 | sing | 1.35Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | doub | 1.36Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | O18 | sing | 1.35Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.47Å | 1.52Å | |
| C19 | O20 | doub | 1.22Å | 1.23Å | |
| C19 | N21 | sing | 1.35Å | 1.37Å | |
| N21 | C22 | sing | 1.46Å | 1.51Å | |
| N21 | H21 | sing | 0.97Å | 1.02Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | C27 | sing | 1.51Å | 1.57Å | |
| C22 | H22 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | C26 | sing | 1.53Å | 1.55Å | |
| C24 | H24 | sing | 1.09Å | 1.12Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C25 | H253 | sing | 1.09Å | 1.11Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å | |
| C27 | O28 | doub | 1.21Å | 1.26Å | |
| C27 | N29 | sing | 1.35Å | 1.35Å | |
| N29 | C30 | sing | 1.47Å | 1.49Å | |
| N29 | H29 | sing | 0.97Å | 1.02Å | |
| C30 | C37 | sing | 1.53Å | 1.58Å | |
| C30 | C31 | sing | 1.49Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.11Å | |
| O32 | C31 | doub | 1.21Å | 1.42Å | |
| C33 | N34 | sing | 1.48Å | 1.51Å | |
| C33 | C31 | sing | 1.52Å | 1.56Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| N34 | C35 | sing | 1.44Å | 1.50Å | |
| N34 | C38 | sing | 1.35Å | 1.38Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | C37 | sing | 1.48Å | 1.58Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | O39 | doub | 1.21Å | 1.25Å | |
| C38 | C40 | sing | 1.51Å | 1.57Å | |
| C40 | C41 | sing | 1.51Å | 1.56Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C41 | C42 | doub | 1.38Å | 1.42Å | Aromatic |
| C41 | C46 | sing | 1.38Å | 1.42Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.43Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | C44 | doub | 1.38Å | 1.43Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| C44 | C45 | sing | 1.39Å | 1.46Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| C45 | C46 | doub | 1.39Å | 1.47Å | Aromatic |
| C45 | C47 | sing | 1.48Å | 1.46Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.10Å | |
| C47 | C48 | doub | 1.39Å | 1.48Å | Aromatic |
| C47 | N52 | sing | 1.33Å | 1.38Å | Aromatic |
| C48 | C49 | sing | 1.38Å | 1.42Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.10Å | |
| C49 | C50 | doub | 1.39Å | 1.44Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.10Å | |
| C50 | C51 | sing | 1.38Å | 1.43Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.10Å | |
| C51 | N52 | doub | 1.32Å | 1.35Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C6 | 112.4° | 109.7° |
| O2 | C1 | HC11 | 111.2° | 109.4° |
| O2 | C1 | HC12 | 111.2° | 109.4° |
| C1 | O2 | C3 | 114.2° | 107.2° |
| C6 | C1 | HC11 | 111.1° | 109.4° |
| C6 | C1 | HC12 | 111.1° | 109.4° |
| C1 | C6 | N5 | 110.8° | 109.5° |
| C1 | C6 | HC61 | 111.7° | 109.4° |
| C1 | C6 | HC62 | 111.7° | 109.5° |
| HC11 | C1 | HC12 | 99.2° | 109.4° |
| O2 | C3 | C4 | 111.7° | 109.7° |
| O2 | C3 | HC31 | 111.4° | 109.4° |
| O2 | C3 | HC32 | 111.4° | 109.4° |
| C4 | C3 | HC31 | 111.4° | 109.4° |
| C4 | C3 | HC32 | 111.4° | 109.5° |
| C3 | C4 | N5 | 110.2° | 109.5° |
| C3 | C4 | HC41 | 112.0° | 109.4° |
| C3 | C4 | HC42 | 111.9° | 109.5° |
| HC31 | C3 | HC32 | 99.0° | 109.4° |
| N5 | C4 | HC41 | 111.9° | 109.5° |
| N5 | C4 | HC42 | 111.9° | 109.5° |
| C4 | N5 | C6 | 115.1° | 106.7° |
| C4 | N5 | C7 | 113.8° | 106.7° |
| HC41 | C4 | HC42 | 98.5° | 109.5° |
| C6 | N5 | C7 | 110.4° | 106.7° |
| N5 | C6 | HC61 | 111.7° | 109.5° |
| N5 | C6 | HC62 | 111.7° | 109.5° |
| N5 | C7 | C8 | 117.6° | 109.4° |
| N5 | C7 | HC71 | 109.3° | 109.5° |
| N5 | C7 | HC72 | 109.2° | 109.5° |
| HC61 | C6 | HC62 | 98.6° | 109.5° |
| C8 | C7 | HC71 | 109.2° | 109.5° |
| C8 | C7 | HC72 | 109.2° | 109.5° |
| C7 | C8 | O9 | 106.3° | 109.5° |
| C7 | C8 | HC81 | 113.4° | 109.5° |
| C7 | C8 | HC82 | 113.4° | 109.5° |
| HC71 | C7 | HC72 | 100.9° | 109.5° |
| O9 | C8 | HC81 | 113.4° | 109.5° |
| O9 | C8 | HC82 | 113.4° | 109.4° |
| C8 | O9 | C10 | 130.5° | 106.8° |
| HC81 | C8 | HC82 | 97.0° | 109.5° |
| O9 | C10 | C11 | 123.2° | 119.9° |
| O9 | C10 | C15 | 116.4° | 119.9° |
| C11 | C10 | C15 | 120.4° | 120.1° |
| C10 | C11 | C12 | 119.2° | 119.5° |
| C10 | C11 | H11 | 120.6° | 120.2° |
| C10 | C15 | C14 | 120.7° | 120.7° |
| C10 | C15 | H15 | 120.2° | 119.6° |
| C12 | C11 | H11 | 120.2° | 120.3° |
| C11 | C12 | C13 | 120.3° | 120.2° |
| C11 | C12 | C16 | 130.4° | 134.1° |
| C13 | C12 | C16 | 109.3° | 105.7° |
| C12 | C13 | C14 | 120.4° | 119.3° |
| C12 | C13 | O18 | 106.5° | 107.6° |
| C12 | C16 | C17 | 106.6° | 106.1° |
| C12 | C16 | H16 | 126.0° | 126.9° |
| C14 | C13 | O18 | 133.1° | 133.1° |
| C13 | C14 | C15 | 119.0° | 120.1° |
| C13 | C14 | H14 | 120.9° | 119.9° |
| C13 | O18 | C17 | 109.0° | 110.8° |
| C15 | C14 | H14 | 120.0° | 120.0° |
| C14 | C15 | H15 | 119.1° | 119.7° |
| C17 | C16 | H16 | 127.4° | 127.0° |
| C16 | C17 | O18 | 108.7° | 109.8° |
| C16 | C17 | C19 | 128.4° | 125.1° |
| O18 | C17 | C19 | 122.9° | 125.1° |
| C17 | C19 | O20 | 117.8° | 120.0° |
| C17 | C19 | N21 | 120.7° | 120.0° |
| O20 | C19 | N21 | 121.5° | 120.0° |
| C19 | N21 | C22 | 122.3° | 120.0° |
| C19 | N21 | H21 | 113.9° | 120.0° |
| C22 | N21 | H21 | 123.8° | 120.0° |
| N21 | C22 | C23 | 112.5° | 109.5° |
| N21 | C22 | C27 | 105.4° | 109.5° |
| N21 | C22 | H22 | 110.6° | 109.5° |
| C23 | C22 | C27 | 110.4° | 109.5° |
| C23 | C22 | H22 | 105.5° | 109.5° |
| C22 | C23 | C24 | 122.9° | 109.5° |
| C22 | C23 | H231 | 107.4° | 109.5° |
| C22 | C23 | H232 | 107.4° | 109.5° |
| C27 | C22 | H22 | 112.6° | 109.4° |
| C22 | C27 | O28 | 119.7° | 120.0° |
| C22 | C27 | N29 | 120.2° | 120.0° |
| C24 | C23 | H231 | 107.4° | 109.5° |
| C24 | C23 | H232 | 107.4° | 109.5° |
| C23 | C24 | C25 | 108.0° | 109.4° |
| C23 | C24 | C26 | 112.8° | 109.5° |
| C23 | C24 | H24 | 107.8° | 109.5° |
| H231 | C23 | H232 | 102.3° | 109.5° |
| C25 | C24 | C26 | 107.8° | 109.5° |
| C25 | C24 | H24 | 112.7° | 109.5° |
| C24 | C25 | H251 | 112.8° | 109.4° |
| C24 | C25 | H252 | 108.0° | 109.5° |
| C24 | C25 | H253 | 112.8° | 109.5° |
| C26 | C24 | H24 | 107.9° | 109.5° |
| C24 | C26 | H261 | 111.0° | 109.5° |
| C24 | C26 | H262 | 112.8° | 109.4° |
| C24 | C26 | H263 | 111.0° | 109.5° |
| H251 | C25 | H252 | 112.8° | 109.5° |
| H251 | C25 | H253 | 97.7° | 109.5° |
| H252 | C25 | H253 | 112.8° | 109.5° |
| H261 | C26 | H262 | 111.0° | 109.5° |
| H261 | C26 | H263 | 99.3° | 109.5° |
| H262 | C26 | H263 | 111.0° | 109.5° |
| O28 | C27 | N29 | 120.1° | 120.0° |
| C27 | N29 | C30 | 120.2° | 120.0° |
| C27 | N29 | H29 | 114.9° | 120.0° |
| C30 | N29 | H29 | 124.9° | 120.0° |
| N29 | C30 | C37 | 107.7° | 109.2° |
| N29 | C30 | C31 | 111.0° | 109.2° |
| N29 | C30 | H30 | 111.0° | 109.2° |
| C37 | C30 | C31 | 113.2° | 110.5° |
| C37 | C30 | H30 | 108.7° | 109.3° |
| C30 | C37 | C36 | 118.4° | 112.2° |
| C30 | C37 | H371 | 109.0° | 108.9° |
| C30 | C37 | H372 | 109.0° | 109.0° |
| C31 | C30 | H30 | 105.3° | 109.3° |
| C30 | C31 | O32 | 108.5° | 119.7° |
| C30 | C31 | C33 | 115.3° | 120.6° |
| O32 | C31 | C33 | 107.0° | 119.7° |
| N34 | C33 | C31 | 113.8° | 110.5° |
| N34 | C33 | H331 | 110.6° | 109.2° |
| N34 | C33 | H332 | 110.6° | 109.2° |
| C33 | N34 | C35 | 118.8° | 120.1° |
| C33 | N34 | C38 | 119.8° | 119.9° |
| C31 | C33 | H331 | 110.6° | 109.3° |
| C31 | C33 | H332 | 110.7° | 109.3° |
| H331 | C33 | H332 | 99.7° | 109.3° |
| C35 | N34 | C38 | 121.4° | 120.0° |
| N34 | C35 | C36 | 117.0° | 110.8° |
| N34 | C35 | H351 | 109.5° | 109.2° |
| N34 | C35 | H352 | 109.5° | 109.2° |
| N34 | C38 | O39 | 118.3° | 119.9° |
| N34 | C38 | C40 | 126.0° | 120.0° |
| C36 | C35 | H351 | 109.5° | 109.3° |
| C36 | C35 | H352 | 109.5° | 109.2° |
| C35 | C36 | C37 | 118.3° | 113.2° |
| C35 | C36 | H361 | 109.1° | 108.7° |
| C35 | C36 | H362 | 109.1° | 108.8° |
| H351 | C35 | H352 | 100.7° | 109.1° |
| C37 | C36 | H361 | 109.0° | 108.8° |
| C37 | C36 | H362 | 109.0° | 108.8° |
| C36 | C37 | H371 | 109.0° | 108.9° |
| C36 | C37 | H372 | 109.0° | 108.9° |
| H361 | C36 | H362 | 101.0° | 108.6° |
| H371 | C37 | H372 | 101.1° | 108.8° |
| O39 | C38 | C40 | 115.7° | 120.0° |
| C38 | C40 | C41 | 116.3° | 109.5° |
| C38 | C40 | H401 | 109.7° | 109.5° |
| C38 | C40 | H402 | 109.7° | 109.5° |
| C41 | C40 | H401 | 109.7° | 109.4° |
| C41 | C40 | H402 | 109.7° | 109.4° |
| C40 | C41 | C42 | 120.3° | 120.0° |
| C40 | C41 | C46 | 120.8° | 119.9° |
| H401 | C40 | H402 | 100.5° | 109.5° |
| C42 | C41 | C46 | 118.9° | 120.1° |
| C41 | C42 | C43 | 121.0° | 120.3° |
| C41 | C42 | H42 | 119.5° | 119.9° |
| C41 | C46 | C45 | 123.0° | 119.9° |
| C41 | C46 | H46 | 116.8° | 120.0° |
| C43 | C42 | H42 | 119.6° | 119.8° |
| C42 | C43 | C44 | 120.0° | 120.1° |
| C42 | C43 | H43 | 119.8° | 120.0° |
| C44 | C43 | H43 | 120.2° | 119.9° |
| C43 | C44 | C45 | 121.8° | 119.9° |
| C43 | C44 | H44 | 118.1° | 120.1° |
| C45 | C44 | H44 | 120.2° | 120.0° |
| C44 | C45 | C46 | 115.4° | 119.8° |
| C44 | C45 | C47 | 122.3° | 120.1° |
| C46 | C45 | C47 | 122.4° | 120.1° |
| C45 | C46 | H46 | 120.2° | 120.1° |
| C45 | C47 | C48 | 122.3° | 119.7° |
| C45 | C47 | N52 | 120.7° | 119.8° |
| C48 | C47 | N52 | 116.9° | 120.5° |
| C47 | C48 | C49 | 119.9° | 119.1° |
| C47 | C48 | H48 | 122.0° | 120.5° |
| C47 | N52 | C51 | 124.7° | 121.6° |
| C49 | C48 | H48 | 118.1° | 120.4° |
| C48 | C49 | C50 | 119.3° | 118.5° |
| C48 | C49 | H49 | 119.8° | 120.7° |
| C50 | C49 | H49 | 121.0° | 120.7° |
| C49 | C50 | C51 | 119.1° | 119.3° |
| C49 | C50 | H50 | 120.7° | 120.3° |
| C51 | C50 | H50 | 120.2° | 120.4° |
| C50 | C51 | N52 | 120.1° | 121.0° |
| C50 | C51 | H51 | 122.7° | 119.5° |
| N52 | C51 | H51 | 117.1° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C6 | HC11 | 125.3° | 120.1° |
| O2 | C1 | C6 | HC12 | 125.3° | 120.0° |
| O2 | C1 | HC11 | HC12 | 117.0° | 119.9° |
| C1 | O2 | C3 | C4 | 55.9° | 63.2° |
| C1 | O2 | C3 | HC31 | 69.4° | 176.8° |
| C1 | O2 | C3 | HC32 | 178.9° | 57.0° |
| O2 | C1 | C6 | N5 | 50.2° | 62.8° |
| O2 | C1 | C6 | HC61 | 75.1° | 57.1° |
| O2 | C1 | C6 | HC62 | 175.4° | 177.1° |
| C6 | C1 | HC11 | HC12 | 117.0° | 119.8° |
| C6 | C1 | O2 | C3 | 55.2° | 63.2° |
| C1 | C6 | N5 | C4 | 49.3° | 59.3° |
| C1 | C6 | N5 | HC61 | 125.3° | 120.0° |
| C1 | C6 | N5 | HC62 | 125.3° | 120.0° |
| C1 | C6 | N5 | C7 | 179.8° | 173.0° |
| C1 | C6 | HC61 | HC62 | 117.6° | 120.0° |
| HC11 | C1 | O2 | C3 | 179.5° | 176.7° |
| HC11 | C1 | C6 | N5 | 175.5° | 177.0° |
| HC11 | C1 | C6 | HC61 | 50.2° | 63.0° |
| HC11 | C1 | C6 | HC62 | 59.3° | 57.0° |
| HC12 | C1 | O2 | C3 | 70.0° | 56.9° |
| HC12 | C1 | C6 | N5 | 75.1° | 57.2° |
| HC12 | C1 | C6 | HC61 | 159.6° | 177.2° |
| HC12 | C1 | C6 | HC62 | 50.2° | 62.8° |
| O2 | C3 | C4 | HC31 | 125.3° | 120.0° |
| O2 | C3 | C4 | HC32 | 125.2° | 120.1° |
| O2 | C3 | HC31 | HC32 | 117.3° | 119.9° |
| O2 | C3 | C4 | N5 | 51.4° | 63.0° |
| O2 | C3 | C4 | HC41 | 176.6° | 177.1° |
| O2 | C3 | C4 | HC42 | 73.8° | 57.1° |
| C4 | C3 | HC31 | HC32 | 117.3° | 119.9° |
| C3 | C4 | N5 | HC41 | 125.3° | 119.9° |
| C3 | C4 | N5 | HC42 | 125.3° | 120.0° |
| C3 | C4 | HC41 | HC42 | 117.9° | 120.0° |
| C3 | C4 | N5 | C6 | 50.0° | 59.3° |
| C3 | C4 | N5 | C7 | 178.9° | 173.1° |
| HC31 | C3 | C4 | N5 | 73.9° | 177.0° |
| HC31 | C3 | C4 | HC41 | 51.4° | 57.1° |
| HC31 | C3 | C4 | HC42 | 160.9° | 62.9° |
| HC32 | C3 | C4 | N5 | 176.7° | 57.2° |
| HC32 | C3 | C4 | HC41 | 58.1° | 62.8° |
| HC32 | C3 | C4 | HC42 | 51.4° | 177.2° |
| N5 | C4 | HC41 | HC42 | 117.8° | 120.1° |
| C4 | N5 | C6 | C7 | 130.5° | 113.7° |
| C4 | N5 | C6 | HC61 | 76.0° | 60.7° |
| C4 | N5 | C6 | HC62 | 174.6° | 179.3° |
| C4 | N5 | C7 | C8 | 1.6° | 56.3° |
| C4 | N5 | C7 | HC71 | 123.6° | 63.7° |
| C4 | N5 | C7 | HC72 | 126.9° | 176.3° |
| HC41 | C4 | N5 | C6 | 175.3° | 179.3° |
| HC41 | C4 | N5 | C7 | 55.8° | 67.0° |
| HC42 | C4 | N5 | C6 | 75.2° | 60.7° |
| HC42 | C4 | N5 | C7 | 53.6° | 53.0° |
| N5 | C6 | HC61 | HC62 | 117.6° | 120.0° |
| C6 | N5 | C7 | C8 | 132.8° | 170.0° |
| C6 | N5 | C7 | HC71 | 7.6° | 50.0° |
| C6 | N5 | C7 | HC72 | 101.9° | 70.0° |
| C7 | N5 | C6 | HC61 | 54.6° | 53.1° |
| C7 | N5 | C6 | HC62 | 54.9° | 66.9° |
| N5 | C7 | C8 | HC71 | 125.3° | 120.0° |
| N5 | C7 | C8 | HC72 | 125.2° | 120.0° |
| N5 | C7 | HC71 | HC72 | 115.0° | 120.0° |
| N5 | C7 | C8 | O9 | 179.6° | 65.0° |
| N5 | C7 | C8 | HC81 | 55.1° | 55.0° |
| N5 | C7 | C8 | HC82 | 54.3° | 175.0° |
| C8 | C7 | HC71 | HC72 | 115.0° | 120.0° |
| C7 | C8 | O9 | HC81 | 125.3° | 120.1° |
| C7 | C8 | O9 | HC82 | 125.3° | 120.0° |
| C7 | C8 | HC81 | HC82 | 119.3° | 120.0° |
| C7 | C8 | O9 | C10 | 179.7° | 180.0° |
| HC71 | C7 | C8 | O9 | 54.3° | 175.0° |
| HC71 | C7 | C8 | HC81 | 179.6° | 64.9° |
| HC71 | C7 | C8 | HC82 | 71.0° | 55.0° |
| HC72 | C7 | C8 | O9 | 55.2° | 55.0° |
| HC72 | C7 | C8 | HC81 | 70.1° | 175.0° |
| HC72 | C7 | C8 | HC82 | 179.5° | 65.0° |
| O9 | C8 | HC81 | HC82 | 119.3° | 119.9° |
| C8 | O9 | C10 | C11 | 123.8° | 180.0° |
| C8 | O9 | C10 | C15 | 57.5° | 0.0° |
| HC81 | C8 | O9 | C10 | 55.0° | 60.0° |
| HC82 | C8 | O9 | C10 | 54.5° | 60.0° |
| O9 | C10 | C11 | C15 | 178.7° | 179.9° |
| O9 | C10 | C11 | C12 | 178.4° | 180.0° |
| O9 | C10 | C11 | H11 | 1.6° | 0.1° |
| O9 | C10 | C15 | C14 | 178.6° | 180.0° |
| O9 | C10 | C15 | H15 | 1.4° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | C16 | 179.6° | 179.8° |
| C11 | C10 | C15 | C14 | 0.1° | 0.1° |
| C11 | C10 | C15 | H15 | 179.9° | 179.9° |
| C15 | C10 | C11 | C12 | 0.2° | 0.1° |
| C15 | C10 | C11 | H11 | 179.8° | 180.0° |
| C10 | C15 | C14 | C13 | 0.3° | 0.1° |
| C10 | C15 | C14 | H15 | 180.0° | 179.9° |
| C10 | C15 | C14 | H14 | 179.8° | 180.0° |
| C11 | C12 | C13 | C16 | 179.8° | 179.9° |
| C11 | C12 | C13 | C14 | 0.4° | 0.1° |
| C11 | C12 | C13 | O18 | 179.9° | 180.0° |
| C11 | C12 | C16 | C17 | 179.7° | 179.8° |
| C11 | C12 | C16 | H16 | 0.3° | 0.0° |
| H11 | C11 | C12 | C13 | 179.9° | 179.9° |
| H11 | C11 | C12 | C16 | 0.4° | 0.3° |
| C12 | C13 | C14 | O18 | 179.4° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C12 | C13 | C14 | H14 | 179.5° | 179.9° |
| C13 | C12 | C16 | C17 | 0.0° | 0.3° |
| C13 | C12 | C16 | H16 | 180.0° | 179.8° |
| C12 | C13 | O18 | C17 | 0.4° | 0.1° |
| C16 | C12 | C13 | C14 | 179.3° | 179.8° |
| C16 | C12 | C13 | O18 | 0.2° | 0.2° |
| C12 | C16 | C17 | H16 | 180.0° | 179.9° |
| C12 | C16 | C17 | O18 | 0.3° | 0.4° |
| C12 | C16 | C17 | C19 | 178.2° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| C14 | C13 | O18 | C17 | 179.1° | 180.0° |
| O18 | C13 | C14 | C15 | 179.9° | 180.0° |
| O18 | C13 | C14 | H14 | 0.1° | 0.0° |
| C13 | O18 | C17 | C16 | 0.4° | 0.3° |
| C13 | O18 | C17 | C19 | 178.2° | 180.0° |
| H14 | C14 | C15 | H15 | 0.2° | 0.0° |
| C16 | C17 | O18 | C19 | 178.6° | 179.7° |
| C16 | C17 | C19 | O20 | 178.8° | 0.3° |
| C16 | C17 | C19 | N21 | 1.2° | 179.6° |
| H16 | C16 | C17 | O18 | 179.7° | 179.8° |
| H16 | C16 | C17 | C19 | 1.8° | 0.1° |
| O18 | C17 | C19 | O20 | 0.5° | 179.9° |
| O18 | C17 | C19 | N21 | 177.1° | 0.0° |
| C17 | C19 | O20 | N21 | 177.6° | 179.9° |
| C17 | C19 | N21 | C22 | 175.2° | 180.0° |
| C17 | C19 | N21 | H21 | 4.8° | 0.1° |
| O20 | C19 | N21 | C22 | 2.3° | 0.1° |
| O20 | C19 | N21 | H21 | 177.7° | 180.0° |
| C19 | N21 | C22 | H21 | 180.0° | 180.0° |
| C19 | N21 | C22 | C23 | 177.1° | 85.0° |
| C19 | N21 | C22 | C27 | 62.5° | 154.9° |
| C19 | N21 | C22 | H22 | 59.5° | 34.9° |
| N21 | C22 | C23 | C27 | 117.4° | 120.1° |
| N21 | C22 | C23 | H22 | 120.6° | 120.0° |
| N21 | C22 | C27 | H22 | 120.6° | 120.0° |
| N21 | C22 | C23 | C24 | 51.9° | 65.0° |
| N21 | C22 | C23 | H231 | 177.2° | 175.0° |
| N21 | C22 | C23 | H232 | 73.3° | 55.0° |
| N21 | C22 | C27 | O28 | 36.5° | 0.1° |
| N21 | C22 | C27 | N29 | 143.3° | 180.0° |
| H21 | N21 | C22 | C23 | 2.9° | 95.0° |
| H21 | N21 | C22 | C27 | 117.5° | 25.0° |
| H21 | N21 | C22 | H22 | 120.6° | 145.0° |
| C23 | C22 | C27 | H22 | 117.6° | 120.0° |
| C22 | C23 | C24 | H231 | 125.3° | 120.0° |
| C22 | C23 | C24 | H232 | 125.3° | 120.0° |
| C22 | C23 | H231 | H232 | 113.0° | 120.0° |
| C22 | C23 | C24 | C25 | 167.6° | 175.0° |
| C22 | C23 | C24 | C26 | 73.4° | 65.0° |
| C22 | C23 | C24 | H24 | 45.5° | 55.0° |
| C23 | C22 | C27 | O28 | 85.3° | 120.0° |
| C23 | C22 | C27 | N29 | 94.9° | 60.0° |
| C27 | C22 | C23 | C24 | 169.4° | 175.0° |
| C27 | C22 | C23 | H231 | 65.4° | 55.0° |
| C27 | C22 | C23 | H232 | 44.1° | 65.1° |
| C22 | C27 | O28 | N29 | 179.8° | 180.0° |
| C22 | C27 | N29 | C30 | 179.6° | 180.0° |
| C22 | C27 | N29 | H29 | 0.5° | 0.0° |
| H22 | C22 | C23 | C24 | 68.7° | 55.0° |
| H22 | C22 | C23 | H231 | 56.6° | 65.0° |
| H22 | C22 | C23 | H232 | 166.0° | 175.0° |
| H22 | C22 | C27 | O28 | 157.1° | 120.1° |
| H22 | C22 | C27 | N29 | 22.7° | 60.0° |
| C24 | C23 | H231 | H232 | 113.0° | 120.0° |
| C23 | C24 | C25 | C26 | 122.1° | 120.0° |
| C23 | C24 | C25 | H24 | 118.9° | 120.0° |
| C23 | C24 | C26 | H24 | 118.9° | 120.0° |
| C23 | C24 | C25 | H251 | 54.7° | 180.0° |
| C23 | C24 | C25 | H252 | 180.0° | 60.0° |
| C23 | C24 | C25 | H253 | 54.7° | 60.0° |
| C23 | C24 | C26 | H261 | 54.7° | 60.0° |
| C23 | C24 | C26 | H262 | 180.0° | 180.0° |
| C23 | C24 | C26 | H263 | 54.7° | 60.0° |
| H231 | C23 | C24 | C25 | 67.2° | 65.0° |
| H231 | C23 | C24 | C26 | 51.8° | 55.0° |
| H231 | C23 | C24 | H24 | 170.8° | 175.0° |
| H232 | C23 | C24 | C25 | 42.3° | 55.0° |
| H232 | C23 | C24 | C26 | 161.3° | 175.0° |
| H232 | C23 | C24 | H24 | 79.7° | 65.0° |
| C25 | C24 | C26 | H24 | 122.0° | 120.0° |
| C24 | C25 | H251 | H252 | 122.6° | 120.0° |
| C24 | C25 | H251 | H253 | 118.7° | 120.0° |
| C24 | C25 | H252 | H253 | 125.3° | 120.0° |
| C25 | C24 | C26 | H261 | 173.8° | 180.0° |
| C25 | C24 | C26 | H262 | 60.9° | 60.0° |
| C25 | C24 | C26 | H263 | 64.4° | 59.9° |
| C26 | C24 | C25 | H251 | 67.4° | 60.0° |
| C26 | C24 | C25 | H252 | 57.9° | 180.0° |
| C26 | C24 | C25 | H253 | 176.8° | 59.9° |
| C24 | C26 | H261 | H262 | 126.3° | 120.0° |
| C24 | C26 | H261 | H263 | 116.9° | 120.0° |
| C24 | C26 | H262 | H263 | 125.3° | 120.0° |
| H24 | C24 | C25 | H251 | 173.6° | 60.0° |
| H24 | C24 | C25 | H252 | 61.1° | 59.9° |
| H24 | C24 | C25 | H253 | 64.2° | 180.0° |
| H24 | C24 | C26 | H261 | 64.2° | 60.0° |
| H24 | C24 | C26 | H262 | 61.1° | 60.0° |
| H24 | C24 | C26 | H263 | 173.6° | 180.0° |
| H251 | C25 | H252 | H253 | 109.5° | 120.0° |
| H261 | C26 | H262 | H263 | 109.4° | 120.1° |
| O28 | C27 | N29 | C30 | 0.7° | 0.0° |
| O28 | C27 | N29 | H29 | 179.3° | 179.9° |
| C27 | N29 | C30 | H29 | 180.0° | 180.0° |
| C27 | N29 | C30 | C37 | 122.3° | 154.5° |
| C27 | N29 | C30 | C31 | 113.3° | 84.5° |
| C27 | N29 | C30 | H30 | 3.4° | 35.0° |
| N29 | C30 | C37 | C31 | 123.1° | 120.2° |
| N29 | C30 | C37 | H30 | 120.3° | 119.5° |
| N29 | C30 | C31 | H30 | 120.1° | 119.4° |
| N29 | C30 | C31 | O32 | 178.5° | 26.8° |
| N29 | C30 | C31 | C33 | 61.5° | 153.1° |
| N29 | C30 | C37 | C36 | 47.4° | 165.5° |
| N29 | C30 | C37 | H371 | 77.9° | 44.9° |
| N29 | C30 | C37 | H372 | 172.7° | 73.7° |
| H29 | N29 | C30 | C37 | 57.7° | 25.5° |
| H29 | N29 | C30 | C31 | 66.7° | 95.5° |
| H29 | N29 | C30 | H30 | 176.6° | 145.1° |
| C37 | C30 | C31 | H30 | 118.6° | 120.3° |
| C37 | C30 | C31 | O32 | 60.3° | 93.4° |
| C37 | C30 | C31 | C33 | 59.7° | 86.7° |
| C30 | C37 | C36 | C35 | 68.5° | 63.9° |
| C30 | C37 | C36 | H371 | 125.3° | 120.7° |
| C30 | C37 | C36 | H372 | 125.3° | 120.8° |
| C30 | C37 | C36 | H361 | 166.2° | 57.0° |
| C30 | C37 | C36 | H362 | 56.8° | 175.1° |
| C30 | C37 | H371 | H372 | 114.7° | 118.7° |
| C30 | C31 | O32 | C33 | 125.0° | 180.0° |
| C30 | C31 | C33 | N34 | 68.4° | 40.3° |
| C30 | C31 | C33 | H331 | 56.8° | 79.9° |
| C30 | C31 | C33 | H332 | 166.3° | 160.6° |
| C31 | C30 | C37 | C36 | 75.7° | 74.3° |
| C31 | C30 | C37 | H371 | 159.0° | 165.1° |
| C31 | C30 | C37 | H372 | 49.6° | 46.5° |
| H30 | C30 | C31 | O32 | 58.3° | 146.3° |
| H30 | C30 | C31 | C33 | 178.3° | 33.7° |
| H30 | C30 | C37 | C36 | 167.7° | 46.0° |
| H30 | C30 | C37 | H371 | 42.4° | 74.6° |
| H30 | C30 | C37 | H372 | 67.0° | 166.8° |
| O32 | C31 | C33 | N34 | 52.4° | 139.7° |
| O32 | C31 | C33 | H331 | 177.6° | 100.1° |
| O32 | C31 | C33 | H332 | 72.9° | 19.4° |
| N34 | C33 | C31 | H331 | 125.2° | 120.2° |
| N34 | C33 | C31 | H332 | 125.3° | 120.3° |
| N34 | C33 | H331 | H332 | 116.5° | 119.4° |
| C33 | N34 | C35 | C38 | 178.2° | 180.0° |
| C33 | N34 | C35 | C36 | 57.8° | 89.4° |
| C33 | N34 | C35 | H351 | 177.0° | 150.3° |
| C33 | N34 | C35 | H352 | 67.5° | 31.0° |
| C33 | N34 | C38 | O39 | 19.2° | 180.0° |
| C33 | N34 | C38 | C40 | 159.3° | 0.0° |
| C31 | C33 | H331 | H332 | 116.5° | 119.5° |
| C31 | C33 | N34 | C35 | 87.5° | 40.0° |
| C31 | C33 | N34 | C38 | 90.7° | 140.0° |
| H331 | C33 | N34 | C35 | 37.7° | 160.2° |
| H331 | C33 | N34 | C38 | 144.0° | 19.7° |
| H332 | C33 | N34 | C35 | 147.2° | 80.3° |
| H332 | C33 | N34 | C38 | 34.6° | 99.7° |
| N34 | C35 | C36 | H351 | 125.3° | 120.3° |
| N34 | C35 | C36 | H352 | 125.3° | 120.4° |
| N34 | C35 | H351 | H352 | 115.3° | 119.3° |
| N34 | C35 | C36 | C37 | 10.9° | 78.3° |
| N34 | C35 | C36 | H361 | 136.1° | 42.7° |
| N34 | C35 | C36 | H362 | 114.4° | 160.7° |
| C35 | N34 | C38 | O39 | 162.6° | 0.0° |
| C35 | N34 | C38 | C40 | 18.9° | 180.0° |
| C38 | N34 | C35 | C36 | 120.4° | 90.6° |
| C38 | N34 | C35 | H351 | 4.8° | 29.7° |
| C38 | N34 | C35 | H352 | 114.3° | 149.0° |
| N34 | C38 | O39 | C40 | 178.7° | 179.9° |
| N34 | C38 | C40 | C41 | 169.1° | 180.0° |
| N34 | C38 | C40 | H401 | 65.7° | 60.1° |
| N34 | C38 | C40 | H402 | 43.8° | 60.0° |
| C36 | C35 | H351 | H352 | 115.2° | 119.4° |
| C35 | C36 | C37 | H361 | 125.3° | 120.9° |
| C35 | C36 | C37 | H362 | 125.3° | 121.0° |
| C35 | C36 | H361 | H362 | 114.8° | 118.2° |
| C35 | C36 | C37 | H371 | 166.2° | 175.4° |
| C35 | C36 | C37 | H372 | 56.7° | 56.8° |
| H351 | C35 | C36 | C37 | 114.4° | 161.4° |
| H351 | C35 | C36 | H361 | 10.9° | 77.6° |
| H351 | C35 | C36 | H362 | 120.4° | 40.4° |
| H352 | C35 | C36 | C37 | 136.2° | 42.1° |
| H352 | C35 | C36 | H361 | 98.6° | 163.0° |
| H352 | C35 | C36 | H362 | 10.9° | 78.9° |
| C37 | C36 | H361 | H362 | 114.7° | 118.2° |
| C36 | C37 | H371 | H372 | 114.7° | 118.6° |
| H361 | C36 | C37 | H371 | 40.9° | 63.7° |
| H361 | C36 | C37 | H372 | 68.5° | 177.8° |
| H362 | C36 | C37 | H371 | 68.5° | 54.4° |
| H362 | C36 | C37 | H372 | 178.0° | 64.1° |
| O39 | C38 | C40 | C41 | 9.5° | 0.1° |
| O39 | C38 | C40 | H401 | 115.8° | 120.0° |
| O39 | C38 | C40 | H402 | 134.8° | 119.9° |
| C38 | C40 | C41 | H401 | 125.3° | 120.0° |
| C38 | C40 | C41 | H402 | 125.2° | 120.0° |
| C38 | C40 | H401 | H402 | 115.5° | 120.0° |
| C38 | C40 | C41 | C42 | 101.8° | 89.9° |
| C38 | C40 | C41 | C46 | 78.1° | 90.3° |
| C41 | C40 | H401 | H402 | 115.5° | 120.0° |
| C40 | C41 | C42 | C46 | 179.9° | 179.8° |
| C40 | C41 | C42 | C43 | 179.7° | 180.0° |
| C40 | C41 | C42 | H42 | 0.4° | 0.0° |
| C40 | C41 | C46 | C45 | 179.9° | 179.7° |
| C40 | C41 | C46 | H46 | 0.1° | 0.2° |
| H401 | C40 | C41 | C42 | 132.9° | 30.0° |
| H401 | C40 | C41 | C46 | 47.1° | 149.8° |
| H402 | C40 | C41 | C42 | 23.5° | 150.0° |
| H402 | C40 | C41 | C46 | 156.6° | 29.8° |
| C41 | C42 | C43 | H42 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.2° | 0.0° |
| C41 | C42 | C43 | H43 | 179.8° | 180.0° |
| C42 | C41 | C46 | C45 | 0.0° | 0.5° |
| C42 | C41 | C46 | H46 | 180.0° | 180.0° |
| C46 | C41 | C42 | C43 | 0.3° | 0.2° |
| C46 | C41 | C42 | H42 | 179.7° | 179.8° |
| C41 | C46 | C45 | C44 | 0.3° | 0.5° |
| C41 | C46 | C45 | H46 | 180.0° | 179.6° |
| C41 | C46 | C45 | C47 | 179.3° | 179.7° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.2° | 0.0° |
| C42 | C43 | C44 | H44 | 179.8° | 180.0° |
| H42 | C42 | C43 | C44 | 179.8° | 180.0° |
| H42 | C42 | C43 | H43 | 0.2° | 0.0° |
| C43 | C44 | C45 | H44 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.4° | 0.2° |
| C43 | C44 | C45 | C47 | 179.2° | 180.0° |
| H43 | C43 | C44 | C45 | 179.8° | 180.0° |
| H43 | C43 | C44 | H44 | 0.2° | 0.0° |
| C44 | C45 | C46 | C47 | 179.6° | 179.8° |
| C44 | C45 | C46 | H46 | 179.7° | 180.0° |
| C44 | C45 | C47 | C48 | 169.2° | 40.0° |
| C44 | C45 | C47 | N52 | 10.6° | 140.2° |
| H44 | C44 | C45 | C46 | 179.6° | 179.8° |
| H44 | C44 | C45 | C47 | 0.8° | 0.0° |
| C46 | C45 | C47 | C48 | 10.4° | 139.8° |
| C46 | C45 | C47 | N52 | 169.8° | 40.0° |
| C47 | C45 | C46 | H46 | 0.7° | 0.2° |
| C45 | C47 | C48 | N52 | 179.7° | 179.7° |
| C45 | C47 | C48 | C49 | 180.0° | 180.0° |
| C45 | C47 | C48 | H48 | 0.1° | 0.0° |
| C45 | C47 | N52 | C51 | 180.0° | 179.7° |
| C47 | C48 | C49 | H48 | 180.0° | 180.0° |
| C47 | C48 | C49 | C50 | 0.1° | 0.0° |
| C47 | C48 | C49 | H49 | 179.9° | 180.0° |
| C48 | C47 | N52 | C51 | 0.3° | 0.5° |
| N52 | C47 | C48 | C49 | 0.3° | 0.3° |
| N52 | C47 | C48 | H48 | 179.7° | 179.8° |
| C47 | N52 | C51 | C50 | 0.1° | 0.6° |
| C47 | N52 | C51 | H51 | 179.9° | 179.7° |
| C48 | C49 | C50 | H49 | 180.0° | 179.9° |
| C48 | C49 | C50 | C51 | 0.1° | 0.0° |
| C48 | C49 | C50 | H50 | 179.9° | 179.9° |
| H48 | C48 | C49 | C50 | 179.9° | 180.0° |
| H48 | C48 | C49 | H49 | 0.1° | 0.0° |
| C49 | C50 | C51 | H50 | 180.0° | 179.9° |
| C49 | C50 | C51 | N52 | 0.1° | 0.3° |
| C49 | C50 | C51 | H51 | 179.9° | 180.0° |
| H49 | C49 | C50 | C51 | 179.9° | 180.0° |
| H49 | C49 | C50 | H50 | 0.1° | 0.0° |
| C50 | C51 | N52 | H51 | 180.0° | 179.7° |
| H50 | C50 | C51 | N52 | 179.9° | 179.8° |
| H50 | C50 | C51 | H51 | 0.1° | 0.1° |
