KAB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | C6 | sing | 1.54Å | 1.51Å | |
| C7 | C8 | sing | 1.56Å | 1.52Å | |
| C7 | H7 | sing | 1.10Å | 1.12Å | |
| C6 | C5 | sing | 1.55Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.10Å | 1.11Å | |
| C5 | C36 | sing | 1.53Å | 1.48Å | |
| C5 | C4 | sing | 1.55Å | 1.51Å | |
| C5 | H5 | sing | 1.10Å | 1.12Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C36 | H363 | sing | 1.09Å | 1.11Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C4 | H41 | sing | 1.10Å | 1.11Å | |
| C4 | H42 | sing | 1.10Å | 1.11Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | H3 | sing | 1.10Å | 1.12Å | |
| O3 | C48 | sing | 1.43Å | 1.38Å | |
| C48 | N1 | sing | 1.46Å | 1.38Å | |
| C48 | O4 | sing | 1.43Å | 1.24Å | |
| C48 | H48 | sing | 1.10Å | 1.11Å | |
| N1 | HN11 | sing | 1.02Å | 1.02Å | |
| N1 | HN12 | sing | 1.02Å | 1.02Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C2 | H21 | sing | 1.10Å | 1.12Å | |
| C2 | H22A | sing | 1.10Å | 1.11Å | |
| C1 | O1 | doub | 1.23Å | 1.22Å | |
| C1 | O2 | sing | 1.36Å | 1.34Å | |
| O2 | C24 | sing | 1.45Å | 1.45Å | |
| C8 | C37 | sing | 1.54Å | 1.52Å | |
| C8 | C9 | sing | 1.55Å | 1.53Å | |
| C8 | H8 | sing | 1.10Å | 1.11Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C37 | H373 | sing | 1.09Å | 1.12Å | |
| C9 | O6 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.49Å | 1.48Å | |
| C9 | H9 | sing | 1.10Å | 1.11Å | |
| O6 | C47 | sing | 1.42Å | 1.43Å | |
| C47 | H471 | sing | 1.09Å | 1.11Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C47 | H473 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | doub | 1.37Å | 1.37Å | Aromatic |
| C10 | N2 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | O7 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | H111 | sing | 1.08Å | 1.10Å | |
| O7 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C12 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.38Å | Aromatic |
| C13 | N3 | sing | 1.37Å | 1.40Å | Aromatic |
| C14 | O8 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| O8 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| N3 | C15 | doub | 1.32Å | 1.31Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.43Å | Aromatic |
| C16 | N4 | sing | 1.37Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.37Å | 1.38Å | Aromatic |
| N4 | C18 | doub | 1.33Å | 1.33Å | Aromatic |
| C17 | O9 | sing | 1.36Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| O9 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.42Å | 1.45Å | |
| C19 | C20 | doub | 1.34Å | 1.34Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.50Å | 1.50Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.54Å | 1.54Å | |
| C21 | H211 | sing | 1.10Å | 1.12Å | |
| C21 | H212 | sing | 1.10Å | 1.11Å | |
| C22 | O10 | sing | 1.43Å | 1.45Å | |
| C22 | C23 | sing | 1.56Å | 1.55Å | |
| C22 | H22 | sing | 1.10Å | 1.12Å | |
| O10 | C46 | sing | 1.42Å | 1.42Å | |
| C46 | H461 | sing | 1.09Å | 1.12Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| C46 | H463 | sing | 1.09Å | 1.11Å | |
| C23 | C38 | sing | 1.54Å | 1.52Å | |
| C23 | C24 | sing | 1.55Å | 1.54Å | |
| C23 | H23 | sing | 1.10Å | 1.11Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H383 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.10Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | O11 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.55Å | 1.52Å | |
| C26 | H26 | sing | 1.10Å | 1.11Å | |
| O11 | C45 | sing | 1.42Å | 1.43Å | |
| C45 | H451 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C45 | H453 | sing | 1.09Å | 1.12Å | |
| C27 | C39 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.55Å | 1.52Å | |
| C27 | H27 | sing | 1.10Å | 1.12Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.10Å | 1.11Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C28 | H281 | sing | 1.10Å | 1.12Å | |
| C28 | H282 | sing | 1.10Å | 1.12Å | |
| C29 | C30 | sing | 1.52Å | 1.50Å | |
| C29 | H291 | sing | 1.10Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C30 | O12 | doub | 1.23Å | 1.24Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C31 | C40 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.55Å | 1.53Å | |
| C31 | H31 | sing | 1.10Å | 1.11Å | |
| C40 | H401 | sing | 1.10Å | 1.12Å | |
| C40 | H402 | sing | 1.10Å | 1.12Å | |
| C40 | H403 | sing | 1.09Å | 1.12Å | |
| C32 | O13 | sing | 1.43Å | 1.44Å | |
| C32 | C33 | sing | 1.55Å | 1.54Å | |
| C32 | H32 | sing | 1.10Å | 1.12Å | |
| O13 | C44 | sing | 1.42Å | 1.43Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å | |
| C33 | C41 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C33 | H33 | sing | 1.10Å | 1.12Å | |
| C41 | H411 | sing | 1.10Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C41 | H413 | sing | 1.10Å | 1.12Å | |
| C34 | C35 | doub | 1.34Å | 1.35Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | N5 | sing | 1.36Å | 1.41Å | |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| N5 | C43 | sing | 1.46Å | 1.44Å | |
| N5 | C42 | sing | 1.46Å | 1.39Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C43 | H433 | sing | 1.09Å | 1.12Å | |
| C42 | O14 | sing | 1.42Å | 1.23Å | |
| C42 | H421 | sing | 1.10Å | 1.12Å | |
| C42 | H422 | sing | 1.10Å | 1.12Å | |
| HO1 | O4 | sing | 0.97Å | 0.95Å | |
| HO2 | O5 | sing | 0.97Å | 0.95Å | |
| HO3 | O14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C7 | C6 | 106.9° | 110.5° |
| O5 | C7 | C8 | 113.1° | 107.7° |
| O5 | C7 | H7 | 112.0° | 106.5° |
| C7 | O5 | HO2 | 109.5° | 106.5° |
| C6 | C7 | C8 | 117.4° | 114.2° |
| C6 | C7 | H7 | 107.2° | 109.4° |
| C7 | C6 | C5 | 123.5° | 113.8° |
| C7 | C6 | H61 | 107.2° | 108.6° |
| C7 | C6 | H62 | 107.3° | 110.1° |
| C8 | C7 | H7 | 100.1° | 108.2° |
| C7 | C8 | C37 | 109.1° | 111.6° |
| C7 | C8 | C9 | 117.7° | 114.2° |
| C7 | C8 | H8 | 102.8° | 107.0° |
| C5 | C6 | H61 | 107.2° | 108.2° |
| C5 | C6 | H62 | 107.2° | 108.8° |
| C6 | C5 | C36 | 112.7° | 111.3° |
| C6 | C5 | C4 | 115.3° | 108.5° |
| C6 | C5 | H5 | 110.6° | 108.5° |
| H61 | C6 | H62 | 102.5° | 107.0° |
| C36 | C5 | C4 | 123.1° | 111.2° |
| C36 | C5 | H5 | 97.4° | 108.7° |
| C5 | C36 | H361 | 112.8° | 110.5° |
| C5 | C36 | H362 | 111.0° | 110.6° |
| C5 | C36 | H363 | 111.0° | 110.6° |
| C4 | C5 | H5 | 92.9° | 108.6° |
| C5 | C4 | C3 | 120.2° | 117.7° |
| C5 | C4 | H41 | 108.4° | 108.6° |
| C5 | C4 | H42 | 108.4° | 107.8° |
| H361 | C36 | H362 | 110.9° | 108.3° |
| H361 | C36 | H363 | 111.0° | 108.3° |
| H362 | C36 | H363 | 99.3° | 108.4° |
| C3 | C4 | H41 | 108.4° | 108.6° |
| C3 | C4 | H42 | 108.3° | 106.9° |
| C4 | C3 | O3 | 104.7° | 109.0° |
| C4 | C3 | C2 | 114.1° | 113.7° |
| C4 | C3 | H3 | 112.5° | 106.9° |
| H41 | C4 | H42 | 101.6° | 106.7° |
| O3 | C3 | C2 | 116.4° | 110.1° |
| O3 | C3 | H3 | 109.9° | 106.8° |
| C3 | O3 | C48 | 118.5° | 112.4° |
| C2 | C3 | H3 | 99.6° | 110.0° |
| C3 | C2 | C1 | 107.1° | 114.7° |
| C3 | C2 | H21 | 113.1° | 111.2° |
| C3 | C2 | H22A | 113.1° | 109.0° |
| O3 | C48 | N1 | 104.0° | 110.5° |
| O3 | C48 | O4 | 126.4° | 111.3° |
| O3 | C48 | H48 | 107.4° | 109.0° |
| N1 | C48 | O4 | 120.9° | 110.9° |
| N1 | C48 | H48 | 116.5° | 107.5° |
| C48 | N1 | HN11 | 104.0° | 109.1° |
| C48 | N1 | HN12 | 114.3° | 109.1° |
| O4 | C48 | H48 | 78.8° | 107.5° |
| C48 | O4 | HO1 | 109.5° | 106.7° |
| HN11 | N1 | HN12 | 114.3° | 106.1° |
| C1 | C2 | H21 | 113.0° | 106.9° |
| C1 | C2 | H22A | 113.0° | 105.7° |
| C2 | C1 | O1 | 123.0° | 122.2° |
| C2 | C1 | O2 | 109.8° | 112.1° |
| H21 | C2 | H22A | 97.4° | 109.0° |
| O1 | C1 | O2 | 125.3° | 125.6° |
| C1 | O2 | C24 | 119.6° | 117.4° |
| O2 | C24 | C23 | 104.6° | 109.9° |
| O2 | C24 | C25 | 109.0° | 107.5° |
| O2 | C24 | H24 | 114.0° | 109.8° |
| C37 | C8 | C9 | 105.4° | 110.2° |
| C37 | C8 | H8 | 115.7° | 105.3° |
| C8 | C37 | H371 | 109.0° | 110.5° |
| C8 | C37 | H372 | 112.3° | 110.6° |
| C8 | C37 | H373 | 112.3° | 110.6° |
| C9 | C8 | H8 | 106.7° | 108.2° |
| C8 | C9 | O6 | 102.5° | 109.6° |
| C8 | C9 | C10 | 119.3° | 113.3° |
| C8 | C9 | H9 | 107.3° | 109.6° |
| H371 | C37 | H372 | 112.4° | 108.4° |
| H371 | C37 | H373 | 112.4° | 108.3° |
| H372 | C37 | H373 | 98.0° | 108.4° |
| O6 | C9 | C10 | 107.9° | 110.6° |
| O6 | C9 | H9 | 118.9° | 105.1° |
| C9 | O6 | C47 | 118.2° | 111.2° |
| C10 | C9 | H9 | 101.9° | 108.3° |
| C9 | C10 | C11 | 126.2° | 129.8° |
| C9 | C10 | N2 | 122.1° | 120.9° |
| O6 | C47 | H471 | 118.2° | 109.5° |
| O6 | C47 | H472 | 109.0° | 109.5° |
| O6 | C47 | H473 | 109.0° | 108.9° |
| H471 | C47 | H472 | 109.0° | 110.1° |
| H471 | C47 | H473 | 109.1° | 109.4° |
| H472 | C47 | H473 | 101.1° | 109.4° |
| C11 | C10 | N2 | 111.3° | 109.3° |
| C10 | C11 | O7 | 105.7° | 108.1° |
| C10 | C11 | H111 | 127.2° | 135.3° |
| C10 | N2 | C12 | 104.5° | 104.6° |
| O7 | C11 | H111 | 127.0° | 116.5° |
| C11 | O7 | C12 | 107.1° | 104.6° |
| O7 | C12 | N2 | 111.1° | 113.4° |
| O7 | C12 | C13 | 115.2° | 123.5° |
| N2 | C12 | C13 | 132.6° | 123.2° |
| C12 | C13 | C14 | 135.5° | 125.6° |
| C12 | C13 | N3 | 115.7° | 124.4° |
| C14 | C13 | N3 | 107.8° | 110.0° |
| C13 | C14 | O8 | 105.6° | 107.8° |
| C13 | C14 | H14 | 127.1° | 135.8° |
| C13 | N3 | C15 | 110.9° | 104.1° |
| O8 | C14 | H14 | 127.3° | 116.4° |
| C14 | O8 | C15 | 109.2° | 104.6° |
| O8 | C15 | N3 | 106.2° | 113.5° |
| O8 | C15 | C16 | 113.9° | 123.3° |
| N3 | C15 | C16 | 138.4° | 123.2° |
| C15 | C16 | N4 | 110.1° | 124.4° |
| C15 | C16 | C17 | 127.8° | 125.8° |
| N4 | C16 | C17 | 121.6° | 109.8° |
| C16 | N4 | C18 | 96.0° | 105.3° |
| C16 | C17 | O9 | 97.2° | 107.8° |
| C16 | C17 | H17 | 131.3° | 135.8° |
| N4 | C18 | O9 | 114.7° | 111.6° |
| N4 | C18 | C19 | 126.4° | 127.3° |
| O9 | C17 | H17 | 131.5° | 116.4° |
| C17 | O9 | C18 | 109.6° | 105.6° |
| O9 | C18 | C19 | 117.9° | 121.1° |
| C18 | C19 | C20 | 116.6° | 121.4° |
| C18 | C19 | H19 | 125.3° | 118.0° |
| C20 | C19 | H19 | 118.0° | 120.6° |
| C19 | C20 | C21 | 119.1° | 123.6° |
| C19 | C20 | H20 | 115.0° | 120.3° |
| C21 | C20 | H20 | 125.8° | 116.1° |
| C20 | C21 | C22 | 113.8° | 115.6° |
| C20 | C21 | H211 | 110.7° | 106.0° |
| C20 | C21 | H212 | 110.6° | 110.9° |
| C22 | C21 | H211 | 110.6° | 107.8° |
| C22 | C21 | H212 | 110.6° | 109.8° |
| C21 | C22 | O10 | 122.2° | 109.1° |
| C21 | C22 | C23 | 110.0° | 118.1° |
| C21 | C22 | H22 | 98.3° | 105.8° |
| H211 | C21 | H212 | 99.6° | 106.2° |
| O10 | C22 | C23 | 104.6° | 111.2° |
| O10 | C22 | H22 | 104.4° | 104.8° |
| C22 | O10 | C46 | 113.8° | 111.4° |
| C23 | C22 | H22 | 118.1° | 106.7° |
| C22 | C23 | C38 | 110.9° | 109.8° |
| C22 | C23 | C24 | 114.3° | 116.8° |
| C22 | C23 | H23 | 105.4° | 105.1° |
| O10 | C46 | H461 | 113.8° | 109.5° |
| O10 | C46 | H462 | 110.6° | 109.6° |
| O10 | C46 | H463 | 110.6° | 109.0° |
| H461 | C46 | H462 | 110.6° | 110.0° |
| H461 | C46 | H463 | 110.6° | 109.4° |
| H462 | C46 | H463 | 99.7° | 109.3° |
| C38 | C23 | C24 | 110.6° | 111.1° |
| C38 | C23 | H23 | 109.5° | 107.4° |
| C23 | C38 | H381 | 111.0° | 110.5° |
| C23 | C38 | H382 | 111.7° | 110.5° |
| C23 | C38 | H383 | 111.7° | 110.6° |
| C24 | C23 | H23 | 105.8° | 106.1° |
| C23 | C24 | C25 | 112.4° | 111.9° |
| C23 | C24 | H24 | 110.6° | 109.2° |
| H381 | C38 | H382 | 111.7° | 108.4° |
| H381 | C38 | H383 | 111.6° | 108.4° |
| H382 | C38 | H383 | 98.6° | 108.4° |
| C25 | C24 | H24 | 106.4° | 108.5° |
| C24 | C25 | C26 | 113.5° | 112.2° |
| C24 | C25 | H251 | 110.8° | 108.0° |
| C24 | C25 | H252 | 110.7° | 107.1° |
| C26 | C25 | H251 | 110.7° | 110.1° |
| C26 | C25 | H252 | 110.7° | 110.8° |
| C25 | C26 | O11 | 106.9° | 109.9° |
| C25 | C26 | C27 | 115.7° | 112.7° |
| C25 | C26 | H26 | 107.2° | 109.1° |
| H251 | C25 | H252 | 99.6° | 108.4° |
| O11 | C26 | C27 | 109.9° | 109.1° |
| O11 | C26 | H26 | 113.3° | 107.5° |
| C26 | O11 | C45 | 116.9° | 111.4° |
| C27 | C26 | H26 | 104.0° | 108.4° |
| C26 | C27 | C39 | 106.9° | 112.5° |
| C26 | C27 | C28 | 111.8° | 109.4° |
| C26 | C27 | H27 | 110.7° | 107.8° |
| O11 | C45 | H451 | 116.9° | 109.5° |
| O11 | C45 | H452 | 109.5° | 109.5° |
| O11 | C45 | H453 | 109.5° | 109.0° |
| H451 | C45 | H452 | 109.5° | 110.1° |
| H451 | C45 | H453 | 109.5° | 109.3° |
| H452 | C45 | H453 | 100.7° | 109.4° |
| C39 | C27 | C28 | 112.5° | 111.0° |
| C39 | C27 | H27 | 110.1° | 108.0° |
| C27 | C39 | H391 | 106.9° | 111.4° |
| C27 | C39 | H392 | 113.2° | 111.5° |
| C27 | C39 | H393 | 113.1° | 111.2° |
| C28 | C27 | H27 | 105.0° | 107.9° |
| C27 | C28 | C29 | 114.5° | 113.5° |
| C27 | C28 | H281 | 110.4° | 110.1° |
| C27 | C28 | H282 | 110.4° | 108.8° |
| H391 | C39 | H392 | 113.2° | 108.1° |
| H391 | C39 | H393 | 113.2° | 106.5° |
| H392 | C39 | H393 | 97.3° | 107.9° |
| C29 | C28 | H281 | 110.4° | 109.3° |
| C29 | C28 | H282 | 110.4° | 108.5° |
| C28 | C29 | C30 | 113.5° | 112.4° |
| C28 | C29 | H291 | 110.7° | 109.7° |
| C28 | C29 | H292 | 110.7° | 110.7° |
| H281 | C28 | H282 | 99.8° | 106.3° |
| C30 | C29 | H291 | 110.7° | 107.9° |
| C30 | C29 | H292 | 110.7° | 107.1° |
| C29 | C30 | O12 | 119.9° | 122.3° |
| C29 | C30 | C31 | 116.9° | 116.2° |
| H291 | C29 | H292 | 99.6° | 108.9° |
| O12 | C30 | C31 | 118.8° | 121.4° |
| C30 | C31 | C40 | 105.0° | 108.1° |
| C30 | C31 | C32 | 115.2° | 109.1° |
| C30 | C31 | H31 | 108.9° | 107.1° |
| C40 | C31 | C32 | 109.9° | 114.0° |
| C40 | C31 | H31 | 114.3° | 108.6° |
| C31 | C40 | H401 | 105.0° | 111.4° |
| C31 | C40 | H402 | 113.9° | 110.9° |
| C31 | C40 | H403 | 113.9° | 111.4° |
| C32 | C31 | H31 | 103.9° | 109.8° |
| C31 | C32 | O13 | 106.5° | 108.2° |
| C31 | C32 | C33 | 113.2° | 115.1° |
| C31 | C32 | H32 | 109.0° | 109.0° |
| H401 | C40 | H402 | 113.8° | 107.4° |
| H401 | C40 | H403 | 113.9° | 108.3° |
| H402 | C40 | H403 | 96.5° | 107.3° |
| O13 | C32 | C33 | 109.5° | 109.7° |
| O13 | C32 | H32 | 112.8° | 106.1° |
| C32 | O13 | C44 | 121.0° | 111.1° |
| C33 | C32 | H32 | 106.0° | 108.5° |
| C32 | C33 | C41 | 110.5° | 113.6° |
| C32 | C33 | C34 | 112.7° | 110.2° |
| C32 | C33 | H33 | 108.0° | 108.3° |
| O13 | C44 | H441 | 121.0° | 109.5° |
| O13 | C44 | H442 | 108.1° | 109.5° |
| O13 | C44 | H443 | 108.1° | 109.0° |
| H441 | C44 | H442 | 108.1° | 110.1° |
| H441 | C44 | H443 | 108.1° | 109.3° |
| H442 | C44 | H443 | 101.7° | 109.4° |
| C41 | C33 | C34 | 113.6° | 109.0° |
| C41 | C33 | H33 | 107.0° | 107.4° |
| C33 | C41 | H411 | 110.5° | 112.1° |
| C33 | C41 | H412 | 111.9° | 111.3° |
| C33 | C41 | H413 | 111.8° | 110.6° |
| C34 | C33 | H33 | 104.6° | 108.0° |
| C33 | C34 | C35 | 114.3° | 123.9° |
| C33 | C34 | H34 | 127.4° | 117.3° |
| H411 | C41 | H412 | 111.9° | 108.1° |
| H411 | C41 | H413 | 111.8° | 107.3° |
| H412 | C41 | H413 | 98.5° | 107.2° |
| C35 | C34 | H34 | 118.4° | 118.8° |
| C34 | C35 | N5 | 116.8° | 127.6° |
| C34 | C35 | H35 | 119.5° | 120.7° |
| N5 | C35 | H35 | 123.7° | 111.7° |
| C35 | N5 | C43 | 125.1° | 121.9° |
| C35 | N5 | C42 | 117.1° | 122.1° |
| C43 | N5 | C42 | 117.1° | 116.0° |
| N5 | C43 | H431 | 125.1° | 110.1° |
| N5 | C43 | H432 | 106.7° | 110.2° |
| N5 | C43 | H433 | 106.6° | 110.2° |
| N5 | C42 | O14 | 124.6° | 110.9° |
| N5 | C42 | H421 | 106.9° | 110.7° |
| N5 | C42 | H422 | 106.9° | 110.9° |
| H431 | C43 | H432 | 106.7° | 108.8° |
| H431 | C43 | H433 | 106.7° | 108.8° |
| H432 | C43 | H433 | 102.9° | 108.7° |
| O14 | C42 | H421 | 106.8° | 108.4° |
| O14 | C42 | H422 | 106.8° | 108.4° |
| C42 | O14 | HO3 | 109.5° | 107.1° |
| H421 | C42 | H422 | 102.8° | 107.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C7 | C6 | C8 | 128.3° | 121.6° |
| O5 | C7 | C6 | H7 | 120.2° | 117.0° |
| O5 | C7 | C8 | H7 | 119.3° | 114.8° |
| O5 | C7 | C6 | C5 | 54.0° | 71.3° |
| O5 | C7 | C6 | H61 | 71.3° | 168.1° |
| O5 | C7 | C6 | H62 | 179.2° | 51.3° |
| O5 | C7 | C8 | C37 | 174.2° | 60.0° |
| O5 | C7 | C8 | C9 | 54.3° | 174.3° |
| O5 | C7 | C8 | H8 | 62.5° | 54.6° |
| C6 | C7 | C8 | H7 | 115.4° | 122.0° |
| C7 | C6 | C5 | H61 | 125.3° | 120.8° |
| C7 | C6 | C5 | H62 | 125.3° | 123.2° |
| C7 | C6 | H61 | H62 | 112.8° | 118.9° |
| C7 | C6 | C5 | C36 | 159.6° | 85.0° |
| C7 | C6 | C5 | C4 | 51.9° | 152.3° |
| C7 | C6 | C5 | H5 | 51.8° | 34.6° |
| C6 | C7 | C8 | C37 | 60.6° | 63.2° |
| C6 | C7 | C8 | C9 | 179.6° | 62.6° |
| C6 | C7 | C8 | H8 | 62.7° | 177.8° |
| C6 | C7 | O5 | HO2 | 86.0° | 63.1° |
| C8 | C7 | C6 | C5 | 177.7° | 167.1° |
| C8 | C7 | C6 | H61 | 57.0° | 46.5° |
| C8 | C7 | C6 | H62 | 52.5° | 70.4° |
| C7 | C8 | C37 | C9 | 127.2° | 128.0° |
| C7 | C8 | C37 | H8 | 115.2° | 115.6° |
| C7 | C8 | C9 | H8 | 114.7° | 119.0° |
| C7 | C8 | C37 | H371 | 180.0° | 176.2° |
| C7 | C8 | C37 | H372 | 54.7° | 63.8° |
| C7 | C8 | C37 | H373 | 54.7° | 56.2° |
| C7 | C8 | C9 | O6 | 64.6° | 176.7° |
| C7 | C8 | C9 | C10 | 54.5° | 52.7° |
| C7 | C8 | C9 | H9 | 169.4° | 68.4° |
| C8 | C7 | O5 | HO2 | 143.2° | 62.3° |
| H7 | C7 | C6 | C5 | 66.3° | 45.7° |
| H7 | C7 | C6 | H61 | 168.5° | 74.9° |
| H7 | C7 | C6 | H62 | 59.0° | 168.2° |
| H7 | C7 | C8 | C37 | 54.8° | 174.8° |
| H7 | C7 | C8 | C9 | 65.0° | 59.5° |
| H7 | C7 | C8 | H8 | 178.2° | 60.2° |
| H7 | C7 | O5 | HO2 | 31.0° | 178.2° |
| C5 | C6 | H61 | H62 | 112.7° | 117.1° |
| C6 | C5 | C36 | C4 | 145.7° | 121.1° |
| C6 | C5 | C36 | H5 | 116.0° | 119.4° |
| C6 | C5 | C4 | H5 | 114.4° | 117.7° |
| C6 | C5 | C36 | H361 | 180.0° | 63.0° |
| C6 | C5 | C36 | H362 | 54.8° | 177.0° |
| C6 | C5 | C36 | H363 | 54.7° | 56.9° |
| C6 | C5 | C4 | C3 | 171.3° | 176.5° |
| C6 | C5 | C4 | H41 | 63.5° | 59.7° |
| C6 | C5 | C4 | H42 | 46.1° | 55.6° |
| H61 | C6 | C5 | C36 | 34.3° | 154.2° |
| H61 | C6 | C5 | C4 | 177.2° | 31.5° |
| H61 | C6 | C5 | H5 | 73.5° | 86.3° |
| H62 | C6 | C5 | C36 | 75.1° | 38.2° |
| H62 | C6 | C5 | C4 | 73.4° | 84.5° |
| H62 | C6 | C5 | H5 | 177.1° | 157.8° |
| C36 | C5 | C4 | H5 | 100.7° | 119.6° |
| C5 | C36 | H361 | H362 | 125.3° | 121.3° |
| C5 | C36 | H361 | H363 | 125.3° | 121.3° |
| C5 | C36 | H362 | H363 | 116.9° | 121.4° |
| C36 | C5 | C4 | C3 | 43.8° | 60.8° |
| C36 | C5 | C4 | H41 | 81.4° | 63.1° |
| C36 | C5 | C4 | H42 | 169.0° | 178.3° |
| C4 | C5 | C36 | H361 | 34.3° | 58.0° |
| C4 | C5 | C36 | H362 | 159.5° | 61.9° |
| C4 | C5 | C36 | H363 | 91.0° | 178.0° |
| C5 | C4 | C3 | H41 | 125.2° | 123.8° |
| C5 | C4 | C3 | H42 | 125.2° | 121.3° |
| C5 | C4 | H41 | H42 | 114.1° | 115.9° |
| C5 | C4 | C3 | O3 | 69.8° | 75.6° |
| C5 | C4 | C3 | C2 | 161.8° | 47.6° |
| C5 | C4 | C3 | H3 | 49.4° | 169.2° |
| H5 | C5 | C36 | H361 | 64.0° | 177.6° |
| H5 | C5 | C36 | H362 | 61.2° | 57.6° |
| H5 | C5 | C36 | H363 | 170.7° | 62.5° |
| H5 | C5 | C4 | C3 | 56.9° | 58.8° |
| H5 | C5 | C4 | H41 | 177.8° | 177.3° |
| H5 | C5 | C4 | H42 | 68.3° | 62.1° |
| H361 | C36 | H362 | H363 | 116.9° | 117.3° |
| C3 | C4 | H41 | H42 | 114.0° | 114.9° |
| C4 | C3 | O3 | C2 | 126.9° | 125.3° |
| C4 | C3 | O3 | H3 | 121.0° | 115.2° |
| C4 | C3 | C2 | H3 | 120.0° | 119.9° |
| C4 | C3 | O3 | C48 | 107.7° | 85.2° |
| C4 | C3 | C2 | C1 | 177.9° | 155.9° |
| C4 | C3 | C2 | H21 | 52.7° | 82.6° |
| C4 | C3 | C2 | H22A | 56.9° | 37.6° |
| H41 | C4 | C3 | O3 | 164.9° | 48.2° |
| H41 | C4 | C3 | C2 | 36.6° | 171.5° |
| H41 | C4 | C3 | H3 | 75.8° | 66.9° |
| H42 | C4 | C3 | O3 | 55.4° | 163.0° |
| H42 | C4 | C3 | C2 | 72.9° | 73.7° |
| H42 | C4 | C3 | H3 | 174.7° | 47.9° |
| O3 | C3 | C2 | H3 | 117.9° | 117.5° |
| C3 | O3 | C48 | N1 | 162.0° | 117.8° |
| C3 | O3 | C48 | O4 | 14.8° | 118.4° |
| C3 | O3 | C48 | H48 | 74.0° | 0.0° |
| O3 | C3 | C2 | C1 | 60.0° | 81.4° |
| O3 | C3 | C2 | H21 | 174.8° | 40.0° |
| O3 | C3 | C2 | H22A | 65.2° | 160.3° |
| C2 | C3 | O3 | C48 | 125.4° | 149.5° |
| C3 | C2 | C1 | H21 | 125.2° | 123.8° |
| C3 | C2 | C1 | H22A | 125.3° | 120.1° |
| C3 | C2 | H21 | H22A | 119.1° | 120.3° |
| C3 | C2 | C1 | O1 | 52.7° | 149.8° |
| C3 | C2 | C1 | O2 | 142.0° | 33.2° |
| H3 | C3 | O3 | C48 | 13.3° | 30.0° |
| H3 | C3 | C2 | C1 | 57.9° | 36.0° |
| H3 | C3 | C2 | H21 | 67.3° | 157.5° |
| H3 | C3 | C2 | H22A | 176.9° | 82.2° |
| O3 | C48 | N1 | O4 | 149.5° | 124.0° |
| O3 | C48 | N1 | H48 | 117.9° | 118.8° |
| O3 | C48 | O4 | H48 | 103.5° | 119.3° |
| O3 | C48 | N1 | HN11 | 179.9° | 60.5° |
| O3 | C48 | N1 | HN12 | 54.7° | 55.1° |
| O3 | C48 | O4 | HO1 | 103.4° | 91.0° |
| N1 | C48 | O4 | H48 | 114.3° | 117.2° |
| C48 | N1 | HN11 | HN12 | 125.3° | 117.5° |
| N1 | C48 | O4 | HO1 | 114.3° | 32.5° |
| O4 | C48 | N1 | HN11 | 30.4° | 63.4° |
| O4 | C48 | N1 | HN12 | 155.8° | 179.0° |
| H48 | C48 | N1 | HN11 | 62.1° | 179.3° |
| H48 | C48 | N1 | HN12 | 63.2° | 63.7° |
| H48 | C48 | O4 | HO1 | 0.0° | 149.7° |
| C1 | C2 | H21 | H22A | 119.0° | 113.9° |
| C2 | C1 | O1 | O2 | 163.0° | 176.5° |
| C2 | C1 | O2 | C24 | 171.5° | 178.4° |
| H21 | C2 | C1 | O1 | 72.5° | 86.4° |
| H21 | C2 | C1 | O2 | 92.8° | 90.6° |
| H22A | C2 | C1 | O1 | 178.0° | 29.6° |
| H22A | C2 | C1 | O2 | 16.7° | 153.4° |
| O1 | C1 | O2 | C24 | 6.7° | 1.5° |
| C1 | O2 | C24 | C23 | 119.6° | 155.2° |
| C1 | O2 | C24 | C25 | 120.0° | 82.7° |
| C1 | O2 | C24 | H24 | 1.4° | 35.1° |
| O2 | C24 | C23 | C22 | 62.2° | 48.9° |
| O2 | C24 | C23 | C38 | 171.8° | 175.9° |
| O2 | C24 | C23 | C25 | 118.1° | 119.4° |
| O2 | C24 | C23 | H24 | 123.2° | 120.5° |
| O2 | C24 | C23 | H23 | 53.3° | 67.7° |
| O2 | C24 | C25 | H24 | 123.3° | 118.6° |
| O2 | C24 | C25 | C26 | 55.4° | 62.4° |
| O2 | C24 | C25 | H251 | 69.9° | 59.1° |
| O2 | C24 | C25 | H252 | 179.4° | 175.7° |
| C37 | C8 | C9 | H8 | 123.5° | 114.6° |
| C8 | C37 | H371 | H372 | 125.2° | 121.3° |
| C8 | C37 | H371 | H373 | 125.3° | 121.2° |
| C8 | C37 | H372 | H373 | 118.2° | 121.4° |
| C37 | C8 | C9 | O6 | 173.6° | 56.8° |
| C37 | C8 | C9 | C10 | 67.3° | 179.2° |
| C37 | C8 | C9 | H9 | 47.7° | 58.1° |
| C9 | C8 | C37 | H371 | 52.8° | 55.9° |
| C9 | C8 | C37 | H372 | 72.5° | 64.1° |
| C9 | C8 | C37 | H373 | 178.1° | 175.8° |
| C8 | C9 | O6 | C10 | 126.8° | 125.6° |
| C8 | C9 | O6 | H9 | 118.0° | 117.7° |
| C8 | C9 | C10 | H9 | 117.8° | 121.8° |
| C8 | C9 | O6 | C47 | 160.6° | 174.4° |
| C8 | C9 | C10 | C11 | 104.9° | 80.5° |
| C8 | C9 | C10 | N2 | 67.4° | 99.3° |
| H8 | C8 | C37 | H371 | 64.8° | 60.5° |
| H8 | C8 | C37 | H372 | 169.9° | 179.5° |
| H8 | C8 | C37 | H373 | 60.5° | 59.4° |
| H8 | C8 | C9 | O6 | 50.1° | 57.8° |
| H8 | C8 | C9 | C10 | 169.2° | 66.3° |
| H8 | C8 | C9 | H9 | 75.9° | 172.6° |
| H371 | C37 | H372 | H373 | 118.3° | 117.4° |
| O6 | C9 | C10 | H9 | 125.9° | 114.7° |
| C9 | O6 | C47 | H471 | 180.0° | 89.7° |
| C9 | O6 | C47 | H472 | 54.8° | 31.2° |
| C9 | O6 | C47 | H473 | 54.8° | 150.7° |
| O6 | C9 | C10 | C11 | 138.8° | 43.0° |
| O6 | C9 | C10 | N2 | 48.9° | 137.2° |
| C10 | C9 | O6 | C47 | 72.5° | 60.0° |
| C9 | C10 | C11 | N2 | 173.0° | 179.8° |
| C9 | C10 | C11 | O7 | 177.5° | 179.9° |
| C9 | C10 | C11 | H111 | 2.5° | 0.1° |
| C9 | C10 | N2 | C12 | 174.0° | 179.9° |
| H9 | C9 | O6 | C47 | 42.6° | 56.7° |
| H9 | C9 | C10 | C11 | 12.9° | 157.7° |
| H9 | C9 | C10 | N2 | 174.8° | 22.5° |
| O6 | C47 | H471 | H472 | 125.2° | 120.5° |
| O6 | C47 | H471 | H473 | 125.2° | 119.3° |
| O6 | C47 | H472 | H473 | 114.8° | 119.3° |
| H471 | C47 | H472 | H473 | 114.9° | 120.2° |
| C10 | C11 | O7 | H111 | 180.0° | 179.9° |
| C10 | C11 | O7 | C12 | 6.3° | 0.3° |
| C11 | C10 | N2 | C12 | 0.6° | 0.1° |
| N2 | C10 | C11 | O7 | 4.5° | 0.3° |
| N2 | C10 | C11 | H111 | 175.5° | 179.9° |
| C10 | N2 | C12 | O7 | 3.5° | 0.1° |
| C10 | N2 | C12 | C13 | 169.9° | 180.0° |
| C11 | O7 | C12 | N2 | 6.4° | 0.3° |
| C11 | O7 | C12 | C13 | 175.4° | 179.8° |
| H111 | C11 | O7 | C12 | 173.7° | 179.8° |
| O7 | C12 | N2 | C13 | 166.4° | 179.9° |
| O7 | C12 | C13 | C14 | 5.9° | 6.0° |
| O7 | C12 | C13 | N3 | 172.2° | 174.0° |
| N2 | C12 | C13 | C14 | 171.9° | 173.9° |
| N2 | C12 | C13 | N3 | 21.8° | 6.1° |
| C12 | C13 | C14 | N3 | 167.1° | 180.0° |
| C12 | C13 | C14 | O8 | 172.5° | 179.7° |
| C12 | C13 | C14 | H14 | 7.5° | 0.0° |
| C12 | C13 | N3 | C15 | 176.6° | 179.9° |
| C13 | C14 | O8 | H14 | 180.0° | 179.8° |
| C13 | C14 | O8 | C15 | 2.7° | 0.3° |
| C14 | C13 | N3 | C15 | 6.6° | 0.1° |
| N3 | C13 | C14 | O8 | 5.4° | 0.2° |
| N3 | C13 | C14 | H14 | 174.5° | 180.0° |
| C13 | N3 | C15 | O8 | 4.8° | 0.2° |
| C13 | N3 | C15 | C16 | 169.3° | 179.2° |
| C14 | O8 | C15 | N3 | 1.3° | 0.3° |
| C14 | O8 | C15 | C16 | 170.1° | 179.1° |
| H14 | C14 | O8 | C15 | 177.3° | 179.8° |
| O8 | C15 | N3 | C16 | 164.6° | 179.4° |
| O8 | C15 | C16 | N4 | 168.4° | 174.9° |
| O8 | C15 | C16 | C17 | 19.3° | 4.2° |
| N3 | C15 | C16 | N4 | 4.7° | 4.4° |
| N3 | C15 | C16 | C17 | 176.9° | 176.4° |
| C15 | C16 | N4 | C17 | 172.8° | 179.3° |
| C15 | C16 | N4 | C18 | 175.7° | 178.3° |
| C15 | C16 | C17 | O9 | 179.1° | 178.9° |
| C15 | C16 | C17 | H17 | 0.9° | 0.7° |
| N4 | C16 | C17 | O9 | 7.7° | 0.4° |
| N4 | C16 | C17 | H17 | 172.3° | 179.9° |
| C16 | N4 | C18 | O9 | 3.5° | 1.2° |
| C16 | N4 | C18 | C19 | 172.1° | 177.4° |
| C17 | C16 | N4 | C18 | 3.0° | 1.0° |
| C16 | C17 | O9 | H17 | 180.0° | 179.6° |
| C16 | C17 | O9 | C18 | 8.8° | 0.3° |
| N4 | C18 | O9 | C17 | 8.8° | 0.9° |
| N4 | C18 | O9 | C19 | 169.6° | 178.7° |
| N4 | C18 | C19 | C20 | 1.8° | 1.5° |
| N4 | C18 | C19 | H19 | 178.2° | 179.6° |
| C17 | O9 | C18 | C19 | 178.4° | 177.8° |
| H17 | C17 | O9 | C18 | 171.2° | 179.3° |
| O9 | C18 | C19 | C20 | 166.5° | 177.0° |
| O9 | C18 | C19 | H19 | 13.5° | 1.1° |
| C18 | C19 | C20 | H19 | 180.0° | 178.0° |
| C18 | C19 | C20 | C21 | 179.9° | 178.3° |
| C18 | C19 | C20 | H20 | 0.0° | 2.5° |
| C19 | C20 | C21 | H20 | 180.0° | 179.2° |
| C19 | C20 | C21 | C22 | 127.4° | 124.7° |
| C19 | C20 | C21 | H211 | 2.1° | 115.9° |
| C19 | C20 | C21 | H212 | 107.3° | 1.0° |
| H19 | C19 | C20 | C21 | 0.0° | 0.3° |
| H19 | C19 | C20 | H20 | 180.0° | 179.5° |
| C20 | C21 | C22 | H211 | 125.3° | 118.4° |
| C20 | C21 | C22 | H212 | 125.3° | 126.4° |
| C20 | C21 | H211 | H212 | 116.5° | 118.1° |
| C20 | C21 | C22 | O10 | 165.1° | 57.9° |
| C20 | C21 | C22 | C23 | 71.8° | 70.3° |
| C20 | C21 | C22 | H22 | 52.2° | 170.3° |
| H20 | C20 | C21 | C22 | 52.6° | 56.0° |
| H20 | C20 | C21 | H211 | 177.9° | 63.3° |
| H20 | C20 | C21 | H212 | 72.7° | 178.2° |
| C22 | C21 | H211 | H212 | 116.4° | 117.6° |
| C21 | C22 | O10 | C23 | 125.5° | 132.1° |
| C21 | C22 | O10 | H22 | 109.8° | 113.0° |
| C21 | C22 | C23 | H22 | 111.7° | 118.9° |
| C21 | C22 | O10 | C46 | 96.9° | 60.0° |
| C21 | C22 | C23 | C38 | 84.9° | 63.7° |
| C21 | C22 | C23 | C24 | 149.3° | 63.9° |
| C21 | C22 | C23 | H23 | 33.6° | 178.9° |
| H211 | C21 | C22 | O10 | 69.6° | 60.4° |
| H211 | C21 | C22 | C23 | 53.5° | 171.3° |
| H211 | C21 | C22 | H22 | 177.5° | 51.9° |
| H212 | C21 | C22 | O10 | 39.8° | 175.7° |
| H212 | C21 | C22 | C23 | 162.9° | 56.0° |
| H212 | C21 | C22 | H22 | 73.1° | 63.4° |
| O10 | C22 | C23 | H22 | 115.4° | 113.8° |
| C22 | O10 | C46 | H461 | 180.0° | 99.6° |
| C22 | O10 | C46 | H462 | 54.8° | 21.2° |
| C22 | O10 | C46 | H463 | 54.8° | 140.8° |
| O10 | C22 | C23 | C38 | 48.1° | 169.0° |
| O10 | C22 | C23 | C24 | 77.8° | 63.4° |
| O10 | C22 | C23 | H23 | 166.5° | 53.8° |
| C23 | C22 | O10 | C46 | 137.5° | 168.0° |
| C22 | C23 | C38 | C24 | 127.9° | 130.7° |
| C22 | C23 | C38 | H23 | 115.9° | 113.7° |
| C22 | C23 | C24 | H23 | 115.5° | 116.7° |
| C22 | C23 | C38 | H381 | 180.0° | 40.3° |
| C22 | C23 | C38 | H382 | 54.7° | 160.3° |
| C22 | C23 | C38 | H383 | 54.7° | 79.7° |
| C22 | C23 | C24 | C25 | 179.8° | 168.3° |
| C22 | C23 | C24 | H24 | 61.0° | 71.6° |
| H22 | C22 | O10 | C46 | 12.9° | 53.0° |
| H22 | C22 | C23 | C38 | 163.5° | 55.2° |
| H22 | C22 | C23 | C24 | 37.6° | 177.2° |
| H22 | C22 | C23 | H23 | 78.1° | 60.0° |
| O10 | C46 | H461 | H462 | 125.2° | 120.5° |
| O10 | C46 | H461 | H463 | 125.3° | 119.4° |
| O10 | C46 | H462 | H463 | 116.5° | 119.4° |
| H461 | C46 | H462 | H463 | 116.5° | 120.1° |
| C38 | C23 | C24 | H23 | 118.5° | 116.4° |
| C23 | C38 | H381 | H382 | 125.3° | 121.3° |
| C23 | C38 | H381 | H383 | 125.3° | 121.3° |
| C23 | C38 | H382 | H383 | 117.6° | 121.3° |
| C38 | C23 | C24 | C25 | 53.7° | 64.7° |
| C38 | C23 | C24 | H24 | 65.1° | 55.4° |
| C24 | C23 | C38 | H381 | 52.1° | 90.4° |
| C24 | C23 | C38 | H382 | 177.4° | 29.6° |
| C24 | C23 | C38 | H383 | 73.2° | 149.6° |
| C23 | C24 | C25 | H24 | 121.2° | 120.6° |
| C23 | C24 | C25 | C26 | 170.9° | 58.4° |
| C23 | C24 | C25 | H251 | 45.6° | 179.9° |
| C23 | C24 | C25 | H252 | 63.9° | 63.5° |
| H23 | C23 | C38 | H381 | 64.1° | 154.0° |
| H23 | C23 | C38 | H382 | 61.2° | 86.0° |
| H23 | C23 | C38 | H383 | 170.6° | 34.0° |
| H23 | C23 | C24 | C25 | 64.8° | 51.7° |
| H23 | C23 | C24 | H24 | 176.5° | 171.8° |
| H381 | C38 | H382 | H383 | 117.5° | 117.4° |
| C24 | C25 | C26 | H251 | 125.3° | 120.4° |
| C24 | C25 | C26 | H252 | 125.2° | 119.7° |
| C24 | C25 | H251 | H252 | 116.6° | 115.7° |
| C24 | C25 | C26 | O11 | 62.6° | 57.6° |
| C24 | C25 | C26 | C27 | 174.6° | 179.5° |
| C24 | C25 | C26 | H26 | 59.1° | 60.0° |
| H24 | C24 | C25 | C26 | 67.9° | 178.9° |
| H24 | C24 | C25 | H251 | 166.8° | 59.5° |
| H24 | C24 | C25 | H252 | 57.3° | 57.1° |
| C26 | C25 | H251 | H252 | 116.6° | 121.4° |
| C25 | C26 | O11 | C27 | 126.3° | 124.0° |
| C25 | C26 | O11 | H26 | 117.8° | 118.7° |
| C25 | C26 | C27 | H26 | 117.3° | 120.8° |
| C25 | C26 | O11 | C45 | 155.5° | 178.7° |
| C25 | C26 | C27 | C39 | 67.4° | 60.9° |
| C25 | C26 | C27 | C28 | 56.0° | 63.0° |
| C25 | C26 | C27 | H27 | 172.6° | 179.9° |
| H251 | C25 | C26 | O11 | 172.1° | 62.7° |
| H251 | C25 | C26 | C27 | 49.4° | 59.2° |
| H251 | C25 | C26 | H26 | 66.1° | 179.6° |
| H252 | C25 | C26 | O11 | 62.6° | 177.3° |
| H252 | C25 | C26 | C27 | 60.1° | 60.8° |
| H252 | C25 | C26 | H26 | 175.6° | 59.6° |
| O11 | C26 | C27 | H26 | 121.6° | 116.8° |
| C26 | O11 | C45 | H451 | 180.0° | 59.5° |
| C26 | O11 | C45 | H452 | 54.8° | 179.7° |
| C26 | O11 | C45 | H453 | 54.8° | 60.1° |
| O11 | C26 | C27 | C39 | 171.4° | 176.8° |
| O11 | C26 | C27 | C28 | 65.2° | 59.4° |
| O11 | C26 | C27 | H27 | 51.5° | 57.8° |
| C27 | C26 | O11 | C45 | 78.2° | 57.3° |
| C26 | C27 | C39 | C28 | 123.0° | 123.0° |
| C26 | C27 | C39 | H27 | 120.3° | 118.9° |
| C26 | C27 | C28 | H27 | 120.1° | 117.1° |
| C26 | C27 | C39 | H391 | 180.0° | 179.3° |
| C26 | C27 | C39 | H392 | 54.7° | 58.4° |
| C26 | C27 | C39 | H393 | 54.8° | 62.1° |
| C26 | C27 | C28 | C29 | 171.5° | 178.2° |
| C26 | C27 | C28 | H281 | 63.2° | 55.2° |
| C26 | C27 | C28 | H282 | 46.2° | 60.8° |
| H26 | C26 | O11 | C45 | 37.7° | 60.0° |
| H26 | C26 | C27 | C39 | 49.8° | 60.0° |
| H26 | C26 | C27 | C28 | 173.3° | 176.2° |
| H26 | C26 | C27 | H27 | 70.1° | 59.0° |
| O11 | C45 | H451 | H452 | 125.3° | 120.4° |
| O11 | C45 | H451 | H453 | 125.2° | 119.4° |
| O11 | C45 | H452 | H453 | 115.3° | 119.4° |
| H451 | C45 | H452 | H453 | 115.3° | 120.2° |
| C39 | C27 | C28 | H27 | 119.7° | 118.2° |
| C27 | C39 | H391 | H392 | 125.3° | 122.9° |
| C27 | C39 | H391 | H393 | 125.2° | 121.4° |
| C27 | C39 | H392 | H393 | 119.1° | 122.4° |
| C39 | C27 | C28 | C29 | 68.3° | 57.0° |
| C39 | C27 | C28 | H281 | 57.0° | 180.0° |
| C39 | C27 | C28 | H282 | 166.5° | 63.9° |
| C28 | C27 | C39 | H391 | 57.0° | 56.3° |
| C28 | C27 | C39 | H392 | 177.7° | 64.6° |
| C28 | C27 | C39 | H393 | 68.2° | 174.9° |
| C27 | C28 | C29 | H281 | 125.3° | 123.4° |
| C27 | C28 | C29 | H282 | 125.3° | 121.1° |
| C27 | C28 | H281 | H282 | 116.2° | 117.6° |
| C27 | C28 | C29 | C30 | 172.0° | 176.5° |
| C27 | C28 | C29 | H291 | 46.8° | 56.6° |
| C27 | C28 | C29 | H292 | 62.8° | 63.6° |
| H27 | C27 | C39 | H391 | 59.7° | 61.9° |
| H27 | C27 | C39 | H392 | 65.6° | 177.2° |
| H27 | C27 | C39 | H393 | 175.1° | 56.8° |
| H27 | C27 | C28 | C29 | 51.4° | 61.1° |
| H27 | C27 | C28 | H281 | 176.7° | 61.8° |
| H27 | C27 | C28 | H282 | 73.8° | 177.9° |
| H391 | C39 | H392 | H393 | 119.1° | 114.8° |
| C29 | C28 | H281 | H282 | 116.2° | 117.0° |
| C28 | C29 | C30 | H291 | 125.3° | 121.0° |
| C28 | C29 | C30 | H292 | 125.2° | 121.9° |
| C28 | C29 | H291 | H292 | 116.6° | 121.3° |
| C28 | C29 | C30 | O12 | 27.6° | 0.5° |
| C28 | C29 | C30 | C31 | 176.4° | 179.0° |
| H281 | C28 | C29 | C30 | 62.6° | 60.1° |
| H281 | C28 | C29 | H291 | 172.1° | 180.0° |
| H281 | C28 | C29 | H292 | 62.6° | 59.8° |
| H282 | C28 | C29 | C30 | 46.7° | 55.5° |
| H282 | C28 | C29 | H291 | 78.5° | 64.5° |
| H282 | C28 | C29 | H292 | 172.0° | 175.3° |
| C30 | C29 | H291 | H292 | 116.6° | 116.0° |
| C29 | C30 | O12 | C31 | 155.6° | 179.5° |
| C29 | C30 | C31 | C40 | 124.8° | 116.8° |
| C29 | C30 | C31 | C32 | 114.2° | 118.8° |
| C29 | C30 | C31 | H31 | 2.1° | 0.0° |
| H291 | C29 | C30 | O12 | 152.9° | 120.5° |
| H291 | C29 | C30 | C31 | 51.1° | 60.0° |
| H292 | C29 | C30 | O12 | 97.6° | 122.4° |
| H292 | C29 | C30 | C31 | 58.4° | 57.1° |
| O12 | C30 | C31 | C40 | 78.8° | 62.7° |
| O12 | C30 | C31 | C32 | 42.2° | 61.7° |
| O12 | C30 | C31 | H31 | 158.4° | 179.5° |
| C30 | C31 | C40 | C32 | 124.5° | 121.5° |
| C30 | C31 | C40 | H31 | 119.2° | 115.8° |
| C30 | C31 | C32 | H31 | 119.0° | 117.1° |
| C30 | C31 | C40 | H401 | 180.0° | 70.5° |
| C30 | C31 | C40 | H402 | 54.7° | 49.0° |
| C30 | C31 | C40 | H403 | 54.7° | 168.5° |
| C30 | C31 | C32 | O13 | 55.1° | 55.0° |
| C30 | C31 | C32 | C33 | 175.4° | 178.0° |
| C30 | C31 | C32 | H32 | 66.9° | 59.9° |
| C40 | C31 | C32 | H31 | 122.7° | 122.0° |
| C31 | C40 | H401 | H402 | 125.3° | 121.6° |
| C31 | C40 | H401 | H403 | 125.3° | 122.8° |
| C31 | C40 | H402 | H403 | 119.8° | 121.8° |
| C40 | C31 | C32 | O13 | 173.4° | 175.9° |
| C40 | C31 | C32 | C33 | 66.3° | 61.1° |
| C40 | C31 | C32 | H32 | 51.4° | 61.0° |
| C32 | C31 | C40 | H401 | 55.5° | 51.0° |
| C32 | C31 | C40 | H402 | 69.7° | 170.6° |
| C32 | C31 | C40 | H403 | 179.2° | 70.0° |
| C31 | C32 | O13 | C33 | 122.7° | 126.3° |
| C31 | C32 | O13 | H32 | 119.5° | 116.8° |
| C31 | C32 | C33 | H32 | 119.5° | 122.3° |
| C31 | C32 | O13 | C44 | 115.3° | 176.8° |
| C31 | C32 | C33 | C41 | 165.3° | 60.4° |
| C31 | C32 | C33 | C34 | 66.4° | 62.3° |
| C31 | C32 | C33 | H33 | 48.6° | 179.7° |
| H31 | C31 | C40 | H401 | 60.8° | 173.7° |
| H31 | C31 | C40 | H402 | 174.0° | 66.8° |
| H31 | C31 | C40 | H403 | 64.5° | 52.7° |
| H31 | C31 | C32 | O13 | 63.9° | 62.1° |
| H31 | C31 | C32 | C33 | 56.4° | 60.9° |
| H31 | C31 | C32 | H32 | 174.1° | 177.0° |
| H401 | C40 | H402 | H403 | 119.7° | 116.3° |
| O13 | C32 | C33 | H32 | 121.9° | 115.4° |
| C32 | O13 | C44 | H441 | 180.0° | 105.1° |
| C32 | O13 | C44 | H442 | 54.7° | 15.7° |
| C32 | O13 | C44 | H443 | 54.7° | 135.4° |
| O13 | C32 | C33 | C41 | 76.1° | 61.9° |
| O13 | C32 | C33 | C34 | 52.2° | 175.4° |
| O13 | C32 | C33 | H33 | 167.2° | 57.4° |
| C33 | C32 | O13 | C44 | 122.0° | 57.0° |
| C32 | C33 | C41 | C34 | 127.8° | 123.3° |
| C32 | C33 | C41 | H33 | 117.4° | 119.8° |
| C32 | C33 | C34 | H33 | 117.1° | 118.2° |
| C32 | C33 | C41 | H411 | 180.0° | 121.0° |
| C32 | C33 | C41 | H412 | 54.7° | 117.8° |
| C32 | C33 | C41 | H413 | 54.8° | 1.3° |
| C32 | C33 | C34 | C35 | 113.4° | 118.2° |
| C32 | C33 | C34 | H34 | 66.6° | 61.8° |
| H32 | C32 | O13 | C44 | 4.2° | 60.0° |
| H32 | C32 | C33 | C41 | 45.9° | 177.3° |
| H32 | C32 | C33 | C34 | 174.1° | 60.0° |
| H32 | C32 | C33 | H33 | 70.8° | 58.0° |
| O13 | C44 | H441 | H442 | 125.3° | 120.5° |
| O13 | C44 | H441 | H443 | 125.3° | 119.3° |
| O13 | C44 | H442 | H443 | 113.7° | 119.4° |
| H441 | C44 | H442 | H443 | 113.7° | 120.2° |
| C41 | C33 | C34 | H33 | 116.3° | 116.5° |
| C33 | C41 | H411 | H412 | 125.4° | 123.1° |
| C33 | C41 | H411 | H413 | 125.2° | 121.6° |
| C33 | C41 | H412 | H413 | 117.7° | 121.1° |
| C41 | C33 | C34 | C35 | 120.0° | 116.5° |
| C41 | C33 | C34 | H34 | 60.0° | 63.5° |
| C34 | C33 | C41 | H411 | 52.3° | 2.4° |
| C34 | C33 | C41 | H412 | 73.1° | 118.9° |
| C34 | C33 | C41 | H413 | 177.5° | 122.1° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | N5 | 179.0° | 180.0° |
| C33 | C34 | C35 | H35 | 1.0° | 0.0° |
| H33 | C33 | C41 | H411 | 62.6° | 119.2° |
| H33 | C33 | C41 | H412 | 172.0° | 2.0° |
| H33 | C33 | C41 | H413 | 62.6° | 121.1° |
| H33 | C33 | C34 | C35 | 3.7° | 0.0° |
| H33 | C33 | C34 | H34 | 176.3° | 180.0° |
| H411 | C41 | H412 | H413 | 117.7° | 115.4° |
| C34 | C35 | N5 | H35 | 180.0° | 180.0° |
| C34 | C35 | N5 | C43 | 12.5° | 180.0° |
| C34 | C35 | N5 | C42 | 177.3° | 1.1° |
| H34 | C34 | C35 | N5 | 1.0° | 0.0° |
| H34 | C34 | C35 | H35 | 179.0° | 180.0° |
| C35 | N5 | C43 | C42 | 170.2° | 178.9° |
| C35 | N5 | C43 | H431 | 180.0° | 118.1° |
| C35 | N5 | C43 | H432 | 54.7° | 1.9° |
| C35 | N5 | C43 | H433 | 54.7° | 122.0° |
| C35 | N5 | C42 | O14 | 179.5° | 60.4° |
| C35 | N5 | C42 | H421 | 54.2° | 60.0° |
| C35 | N5 | C42 | H422 | 55.3° | 179.2° |
| H35 | C35 | N5 | C43 | 167.5° | 0.0° |
| H35 | C35 | N5 | C42 | 2.7° | 178.9° |
| N5 | C43 | H431 | H432 | 125.2° | 120.9° |
| N5 | C43 | H431 | H433 | 125.3° | 120.8° |
| N5 | C43 | H432 | H433 | 112.1° | 120.9° |
| C43 | N5 | C42 | O14 | 9.5° | 120.7° |
| C43 | N5 | C42 | H421 | 134.8° | 118.9° |
| C43 | N5 | C42 | H422 | 115.8° | 0.3° |
| C42 | N5 | C43 | H431 | 9.7° | 60.8° |
| C42 | N5 | C43 | H432 | 115.5° | 179.1° |
| C42 | N5 | C43 | H433 | 135.0° | 59.1° |
| N5 | C42 | O14 | H421 | 125.3° | 121.7° |
| N5 | C42 | O14 | H422 | 125.3° | 121.9° |
| N5 | C42 | H421 | H422 | 112.3° | 121.2° |
| N5 | C42 | O14 | HO3 | 88.3° | 179.8° |
| H431 | C43 | H432 | H433 | 112.2° | 118.3° |
| O14 | C42 | H421 | H422 | 112.3° | 117.0° |
| H421 | C42 | O14 | HO3 | 146.4° | 58.1° |
| H422 | C42 | O14 | HO3 | 37.0° | 58.3° |
