JAS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C40 | sing | 1.42Å | 1.25Å | |
| C40 | N4 | sing | 1.46Å | 1.39Å | |
| C40 | H401 | sing | 1.10Å | 1.12Å | |
| C40 | H402 | sing | 1.10Å | 1.11Å | |
| N4 | C41 | sing | 1.46Å | 1.46Å | |
| N4 | C35 | sing | 1.36Å | 1.41Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C41 | H413 | sing | 1.09Å | 1.12Å | |
| C35 | C34 | doub | 1.34Å | 1.35Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | C33 | sing | 1.51Å | 1.50Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.54Å | 1.54Å | |
| C33 | H331 | sing | 1.10Å | 1.11Å | |
| C33 | H332 | sing | 1.10Å | 1.11Å | |
| C32 | O12 | sing | 1.43Å | 1.42Å | |
| C32 | C31 | sing | 1.54Å | 1.52Å | |
| C32 | H32 | sing | 1.10Å | 1.11Å | |
| O12 | C42 | sing | 1.42Å | 1.41Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å | |
| C31 | C39 | sing | 1.53Å | 1.51Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C31 | H31 | sing | 1.10Å | 1.12Å | |
| C39 | H391 | sing | 1.10Å | 1.11Å | |
| C39 | H392 | sing | 1.10Å | 1.11Å | |
| C39 | H393 | sing | 1.09Å | 1.11Å | |
| C30 | O11 | doub | 1.23Å | 1.24Å | |
| C30 | C29 | sing | 1.52Å | 1.48Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.10Å | 1.12Å | |
| C28 | C27 | sing | 1.55Å | 1.52Å | |
| C28 | H281 | sing | 1.10Å | 1.11Å | |
| C28 | H282 | sing | 1.10Å | 1.12Å | |
| C27 | C38 | sing | 1.54Å | 1.52Å | |
| C27 | C26 | sing | 1.55Å | 1.54Å | |
| C27 | H27 | sing | 1.10Å | 1.12Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.10Å | 1.12Å | |
| C38 | H383 | sing | 1.09Å | 1.11Å | |
| C26 | O10 | sing | 1.43Å | 1.44Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.12Å | |
| O10 | C43 | sing | 1.42Å | 1.45Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.12Å | |
| C43 | H433 | sing | 1.09Å | 1.12Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.10Å | 1.12Å | |
| C24 | O2 | sing | 1.45Å | 1.44Å | |
| C24 | C23 | sing | 1.55Å | 1.54Å | |
| C24 | H24 | sing | 1.10Å | 1.11Å | |
| O2 | C1 | sing | 1.36Å | 1.33Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21 | sing | 1.10Å | 1.12Å | |
| C2 | H22 | sing | 1.10Å | 1.11Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C3 | H3 | sing | 1.10Å | 1.11Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | H41 | sing | 1.10Å | 1.12Å | |
| C4 | H42 | sing | 1.10Å | 1.12Å | |
| C5 | O4 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | H61 | sing | 1.10Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C23 | C37 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.55Å | 1.54Å | |
| C23 | H23 | sing | 1.10Å | 1.12Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C37 | H373 | sing | 1.09Å | 1.11Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.10Å | 1.12Å | |
| C22 | H222 | sing | 1.10Å | 1.11Å | |
| C21 | C20 | sing | 1.50Å | 1.48Å | |
| C21 | H211 | sing | 1.10Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C20 | C19 | doub | 1.34Å | 1.34Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.42Å | 1.44Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C18 | O9 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| O9 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| C17 | C16 | doub | 1.37Å | 1.37Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| N3 | C16 | sing | 1.37Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C15 | N2 | doub | 1.32Å | 1.32Å | Aromatic |
| C15 | O8 | sing | 1.38Å | 1.42Å | Aromatic |
| N2 | C13 | sing | 1.37Å | 1.40Å | Aromatic |
| O8 | C14 | sing | 1.36Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | O7 | sing | 1.37Å | 1.40Å | Aromatic |
| N1 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| O7 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C10 | C9 | sing | 1.49Å | 1.49Å | |
| C9 | O6 | sing | 1.43Å | 1.42Å | |
| C9 | C8 | sing | 1.54Å | 1.52Å | |
| C9 | H9 | sing | 1.10Å | 1.11Å | |
| O6 | C44 | sing | 1.42Å | 1.43Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å | |
| C8 | C36 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.54Å | 1.51Å | |
| C8 | H8 | sing | 1.10Å | 1.11Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C36 | H363 | sing | 1.09Å | 1.12Å | |
| C7 | O5 | doub | 1.23Å | 1.23Å | |
| HO1 | O13 | sing | 0.97Å | 0.95Å | |
| HO2 | O3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C40 | N4 | 127.8° | 110.9° |
| O13 | C40 | H401 | 105.8° | 108.4° |
| O13 | C40 | H402 | 105.8° | 108.4° |
| C40 | O13 | HO1 | 109.5° | 107.1° |
| N4 | C40 | H401 | 105.7° | 110.7° |
| N4 | C40 | H402 | 105.7° | 110.9° |
| C40 | N4 | C41 | 117.3° | 116.0° |
| C40 | N4 | C35 | 121.8° | 122.1° |
| H401 | C40 | H402 | 103.6° | 107.4° |
| C41 | N4 | C35 | 120.7° | 122.0° |
| N4 | C41 | H411 | 117.3° | 110.1° |
| N4 | C41 | H412 | 109.4° | 110.2° |
| N4 | C41 | H413 | 109.4° | 110.2° |
| N4 | C35 | C34 | 126.5° | 129.8° |
| N4 | C35 | H35 | 119.0° | 111.2° |
| H411 | C41 | H412 | 109.4° | 108.8° |
| H411 | C41 | H413 | 109.3° | 108.7° |
| H412 | C41 | H413 | 100.7° | 108.7° |
| C34 | C35 | H35 | 114.5° | 119.0° |
| C35 | C34 | C33 | 120.8° | 126.0° |
| C35 | C34 | H34 | 114.4° | 117.7° |
| C33 | C34 | H34 | 124.7° | 116.3° |
| C34 | C33 | C32 | 112.6° | 111.8° |
| C34 | C33 | H331 | 111.0° | 110.2° |
| C34 | C33 | H332 | 111.0° | 107.4° |
| C32 | C33 | H331 | 111.1° | 109.9° |
| C32 | C33 | H332 | 111.1° | 110.4° |
| C33 | C32 | O12 | 107.5° | 109.6° |
| C33 | C32 | C31 | 115.0° | 112.1° |
| C33 | C32 | H32 | 105.6° | 109.7° |
| H331 | C33 | H332 | 99.3° | 107.0° |
| O12 | C32 | C31 | 104.3° | 108.8° |
| O12 | C32 | H32 | 116.0° | 107.2° |
| C32 | O12 | C42 | 121.4° | 111.2° |
| C31 | C32 | H32 | 108.8° | 109.3° |
| C32 | C31 | C39 | 111.2° | 113.9° |
| C32 | C31 | C30 | 107.5° | 109.0° |
| C32 | C31 | H31 | 109.3° | 109.5° |
| O12 | C42 | H421 | 121.4° | 109.5° |
| O12 | C42 | H422 | 108.0° | 109.5° |
| O12 | C42 | H423 | 108.0° | 109.0° |
| H421 | C42 | H422 | 107.9° | 110.0° |
| H421 | C42 | H423 | 107.9° | 109.4° |
| H422 | C42 | H423 | 102.0° | 109.3° |
| C39 | C31 | C30 | 108.3° | 110.2° |
| C39 | C31 | H31 | 108.5° | 107.4° |
| C31 | C39 | H391 | 111.1° | 112.0° |
| C31 | C39 | H392 | 111.6° | 110.4° |
| C31 | C39 | H393 | 111.6° | 111.2° |
| C30 | C31 | H31 | 112.1° | 106.7° |
| C31 | C30 | O11 | 122.7° | 121.9° |
| C31 | C30 | C29 | 116.8° | 116.6° |
| H391 | C39 | H392 | 111.6° | 107.1° |
| H391 | C39 | H393 | 111.6° | 108.2° |
| H392 | C39 | H393 | 98.8° | 107.7° |
| O11 | C30 | C29 | 120.5° | 121.6° |
| C30 | C29 | C28 | 115.6° | 113.0° |
| C30 | C29 | H291 | 110.0° | 109.8° |
| C30 | C29 | H292 | 110.0° | 106.6° |
| C28 | C29 | H291 | 109.9° | 110.8° |
| C28 | C29 | H292 | 109.9° | 109.5° |
| C29 | C28 | C27 | 114.9° | 114.7° |
| C29 | C28 | H281 | 110.2° | 108.7° |
| C29 | C28 | H282 | 110.2° | 108.5° |
| H291 | C29 | H292 | 100.2° | 106.9° |
| C27 | C28 | H281 | 110.2° | 109.8° |
| C27 | C28 | H282 | 110.2° | 108.9° |
| C28 | C27 | C38 | 111.7° | 108.3° |
| C28 | C27 | C26 | 113.7° | 113.0° |
| C28 | C27 | H27 | 106.2° | 107.9° |
| H281 | C28 | H282 | 100.1° | 105.9° |
| C38 | C27 | C26 | 113.2° | 112.0° |
| C38 | C27 | H27 | 106.8° | 107.3° |
| C27 | C38 | H381 | 111.7° | 111.6° |
| C27 | C38 | H382 | 111.4° | 110.7° |
| C27 | C38 | H383 | 111.4° | 111.4° |
| C26 | C27 | H27 | 104.5° | 108.0° |
| C27 | C26 | O10 | 110.8° | 110.8° |
| C27 | C26 | C25 | 110.3° | 112.5° |
| C27 | C26 | H26 | 108.9° | 110.0° |
| H381 | C38 | H382 | 111.3° | 107.7° |
| H381 | C38 | H383 | 111.3° | 108.2° |
| H382 | C38 | H383 | 99.0° | 106.9° |
| O10 | C26 | C25 | 111.9° | 108.4° |
| O10 | C26 | H26 | 107.2° | 107.2° |
| C26 | O10 | C43 | 114.6° | 111.4° |
| C25 | C26 | H26 | 107.7° | 107.7° |
| C26 | C25 | C24 | 109.6° | 111.9° |
| C26 | C25 | H251 | 112.2° | 110.6° |
| C26 | C25 | H252 | 112.1° | 110.1° |
| O10 | C43 | H431 | 114.7° | 109.5° |
| O10 | C43 | H432 | 110.3° | 109.5° |
| O10 | C43 | H433 | 110.3° | 109.0° |
| H431 | C43 | H432 | 110.3° | 110.0° |
| H431 | C43 | H433 | 110.3° | 109.3° |
| H432 | C43 | H433 | 99.9° | 109.4° |
| C24 | C25 | H251 | 112.2° | 107.4° |
| C24 | C25 | H252 | 112.1° | 108.5° |
| C25 | C24 | O2 | 105.4° | 107.7° |
| C25 | C24 | C23 | 111.1° | 112.8° |
| C25 | C24 | H24 | 109.5° | 108.9° |
| H251 | C25 | H252 | 98.2° | 108.1° |
| O2 | C24 | C23 | 104.5° | 107.9° |
| O2 | C24 | H24 | 115.7° | 110.1° |
| C24 | O2 | C1 | 117.4° | 118.0° |
| C23 | C24 | H24 | 110.5° | 109.5° |
| C24 | C23 | C37 | 109.7° | 112.1° |
| C24 | C23 | C22 | 112.3° | 112.7° |
| C24 | C23 | H23 | 109.4° | 107.6° |
| O2 | C1 | O1 | 126.0° | 126.2° |
| O2 | C1 | C2 | 117.0° | 109.7° |
| O1 | C1 | C2 | 117.0° | 124.0° |
| C1 | C2 | C3 | 114.2° | 110.9° |
| C1 | C2 | H21 | 110.5° | 109.1° |
| C1 | C2 | H22 | 110.5° | 107.5° |
| C3 | C2 | H21 | 110.5° | 110.0° |
| C3 | C2 | H22 | 110.5° | 111.5° |
| C2 | C3 | O3 | 104.7° | 107.5° |
| C2 | C3 | C4 | 113.7° | 111.1° |
| C2 | C3 | H3 | 111.8° | 110.2° |
| H21 | C2 | H22 | 99.7° | 107.7° |
| O3 | C3 | C4 | 114.4° | 109.4° |
| O3 | C3 | H3 | 111.0° | 108.0° |
| C3 | O3 | HO2 | 109.5° | 106.4° |
| C4 | C3 | H3 | 101.5° | 110.5° |
| C3 | C4 | C5 | 123.1° | 113.7° |
| C3 | C4 | H41 | 107.4° | 108.5° |
| C3 | C4 | H42 | 107.4° | 108.8° |
| C5 | C4 | H41 | 107.3° | 109.5° |
| C5 | C4 | H42 | 107.4° | 108.3° |
| C4 | C5 | O4 | 109.9° | 109.2° |
| C4 | C5 | C6 | 111.9° | 110.6° |
| C4 | C5 | H5 | 116.2° | 110.3° |
| H41 | C4 | H42 | 102.3° | 107.8° |
| O4 | C5 | C6 | 125.2° | 109.6° |
| O4 | C5 | H5 | 97.5° | 107.6° |
| C5 | O4 | HO4 | 109.8° | 106.5° |
| C6 | C5 | H5 | 94.5° | 109.5° |
| C5 | C6 | C7 | 132.6° | 112.9° |
| C5 | C6 | H61 | 104.2° | 110.0° |
| C5 | C6 | H62 | 104.2° | 109.3° |
| C7 | C6 | H61 | 104.2° | 107.4° |
| C7 | C6 | H62 | 104.2° | 108.4° |
| C6 | C7 | C8 | 127.8° | 118.7° |
| C6 | C7 | O5 | 114.7° | 121.6° |
| H61 | C6 | H62 | 104.7° | 108.9° |
| C37 | C23 | C22 | 115.0° | 111.1° |
| C37 | C23 | H23 | 106.4° | 107.5° |
| C23 | C37 | H371 | 109.7° | 110.6° |
| C23 | C37 | H372 | 112.1° | 110.6° |
| C23 | C37 | H373 | 112.1° | 110.6° |
| C22 | C23 | H23 | 103.4° | 105.4° |
| C23 | C22 | C21 | 112.9° | 115.0° |
| C23 | C22 | H221 | 110.9° | 108.9° |
| C23 | C22 | H222 | 111.0° | 108.7° |
| H371 | C37 | H372 | 112.2° | 108.4° |
| H371 | C37 | H373 | 112.1° | 108.4° |
| H372 | C37 | H373 | 98.3° | 108.3° |
| C21 | C22 | H221 | 110.9° | 109.9° |
| C21 | C22 | H222 | 111.0° | 108.6° |
| C22 | C21 | C20 | 107.6° | 110.8° |
| C22 | C21 | H211 | 112.9° | 110.0° |
| C22 | C21 | H212 | 112.9° | 110.8° |
| H221 | C22 | H222 | 99.4° | 105.3° |
| C20 | C21 | H211 | 112.9° | 110.8° |
| C20 | C21 | H212 | 112.9° | 107.3° |
| C21 | C20 | C19 | 125.1° | 124.6° |
| C21 | C20 | H20 | 122.9° | 115.4° |
| H211 | C21 | H212 | 97.6° | 107.1° |
| C19 | C20 | H20 | 112.0° | 120.0° |
| C20 | C19 | C18 | 125.1° | 120.7° |
| C20 | C19 | H19 | 113.3° | 120.8° |
| C18 | C19 | H19 | 121.6° | 118.5° |
| C19 | C18 | O9 | 115.9° | 121.7° |
| C19 | C18 | N3 | 126.7° | 126.8° |
| O9 | C18 | N3 | 117.3° | 111.5° |
| C18 | O9 | C17 | 103.7° | 105.5° |
| C18 | N3 | C16 | 97.1° | 105.5° |
| O9 | C17 | C16 | 104.9° | 107.8° |
| O9 | C17 | H17 | 127.5° | 116.4° |
| C16 | C17 | H17 | 127.6° | 135.9° |
| C17 | C16 | N3 | 116.8° | 109.8° |
| C17 | C16 | C15 | 132.0° | 126.5° |
| N3 | C16 | C15 | 110.6° | 123.7° |
| C16 | C15 | N2 | 138.9° | 122.7° |
| C16 | C15 | O8 | 111.6° | 123.9° |
| N2 | C15 | O8 | 109.2° | 113.4° |
| C15 | N2 | C13 | 111.0° | 104.3° |
| C15 | O8 | C14 | 103.9° | 104.6° |
| N2 | C13 | C14 | 103.0° | 110.0° |
| N2 | C13 | C12 | 117.7° | 124.0° |
| O8 | C14 | C13 | 112.7° | 107.8° |
| O8 | C14 | H14 | 123.3° | 116.3° |
| C13 | C14 | H14 | 124.0° | 135.9° |
| C14 | C13 | C12 | 138.6° | 126.0° |
| C13 | C12 | N1 | 133.3° | 122.9° |
| C13 | C12 | O7 | 116.6° | 123.7° |
| N1 | C12 | O7 | 110.0° | 113.4° |
| C12 | N1 | C10 | 109.9° | 104.5° |
| C12 | O7 | C11 | 105.1° | 104.5° |
| N1 | C10 | C11 | 104.7° | 109.3° |
| N1 | C10 | C9 | 123.7° | 121.7° |
| O7 | C11 | C10 | 110.3° | 108.2° |
| O7 | C11 | H11 | 123.8° | 116.5° |
| C10 | C11 | H11 | 125.9° | 135.3° |
| C11 | C10 | C9 | 131.6° | 129.0° |
| C10 | C9 | O6 | 101.6° | 111.7° |
| C10 | C9 | C8 | 109.8° | 113.2° |
| C10 | C9 | H9 | 119.0° | 107.3° |
| O6 | C9 | C8 | 120.7° | 111.6° |
| O6 | C9 | H9 | 107.7° | 105.1° |
| C9 | O6 | C44 | 119.2° | 111.3° |
| C8 | C9 | H9 | 99.1° | 107.4° |
| C9 | C8 | C36 | 117.7° | 111.7° |
| C9 | C8 | C7 | 117.3° | 112.8° |
| C9 | C8 | H8 | 97.3° | 108.4° |
| O6 | C44 | H441 | 119.3° | 109.5° |
| O6 | C44 | H442 | 108.7° | 109.6° |
| O6 | C44 | H443 | 108.7° | 109.0° |
| H441 | C44 | H442 | 108.7° | 110.1° |
| H441 | C44 | H443 | 108.6° | 109.3° |
| H442 | C44 | H443 | 101.4° | 109.3° |
| C36 | C8 | C7 | 113.4° | 111.7° |
| C36 | C8 | H8 | 103.4° | 106.4° |
| C8 | C36 | H361 | 117.7° | 110.6° |
| C8 | C36 | H362 | 109.3° | 110.6° |
| C8 | C36 | H363 | 109.2° | 110.6° |
| C7 | C8 | H8 | 103.9° | 105.4° |
| C8 | C7 | O5 | 117.4° | 119.8° |
| H361 | C36 | H362 | 109.3° | 108.3° |
| H361 | C36 | H363 | 109.2° | 108.3° |
| H362 | C36 | H363 | 100.8° | 108.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C40 | N4 | H401 | 125.2° | 120.4° |
| O13 | C40 | N4 | H402 | 125.3° | 120.5° |
| O13 | C40 | H401 | H402 | 111.1° | 117.0° |
| O13 | C40 | N4 | C41 | 5.4° | 119.3° |
| O13 | C40 | N4 | C35 | 179.3° | 59.7° |
| N4 | C40 | H401 | H402 | 111.0° | 121.2° |
| C40 | N4 | C41 | C35 | 175.3° | 178.9° |
| C40 | N4 | C41 | H411 | 180.0° | 33.7° |
| C40 | N4 | C41 | H412 | 54.7° | 86.3° |
| C40 | N4 | C41 | H413 | 54.7° | 153.7° |
| C40 | N4 | C35 | C34 | 176.2° | 1.1° |
| C40 | N4 | C35 | H35 | 3.8° | 179.5° |
| N4 | C40 | O13 | HO1 | 3.3° | 179.7° |
| H401 | C40 | N4 | C41 | 119.8° | 1.1° |
| H401 | C40 | N4 | C35 | 55.4° | 179.9° |
| H401 | C40 | O13 | HO1 | 128.5° | 58.0° |
| H402 | C40 | N4 | C41 | 130.7° | 120.2° |
| H402 | C40 | N4 | C35 | 54.0° | 60.8° |
| H402 | C40 | O13 | HO1 | 121.9° | 58.3° |
| N4 | C41 | H411 | H412 | 125.3° | 120.9° |
| N4 | C41 | H411 | H413 | 125.2° | 120.9° |
| N4 | C41 | H412 | H413 | 115.2° | 120.9° |
| C41 | N4 | C35 | C34 | 1.1° | 180.0° |
| C41 | N4 | C35 | H35 | 178.9° | 0.6° |
| C35 | N4 | C41 | H411 | 4.6° | 147.3° |
| C35 | N4 | C41 | H412 | 130.0° | 92.7° |
| C35 | N4 | C41 | H413 | 120.6° | 27.4° |
| N4 | C35 | C34 | H35 | 180.0° | 179.4° |
| N4 | C35 | C34 | C33 | 179.6° | 180.0° |
| N4 | C35 | C34 | H34 | 0.3° | 0.5° |
| H411 | C41 | H412 | H413 | 115.1° | 118.2° |
| C35 | C34 | C33 | H34 | 180.0° | 179.5° |
| C35 | C34 | C33 | C32 | 105.3° | 122.6° |
| C35 | C34 | C33 | H331 | 20.0° | 0.0° |
| C35 | C34 | C33 | H332 | 129.5° | 116.2° |
| H35 | C35 | C34 | C33 | 0.3° | 0.7° |
| H35 | C35 | C34 | H34 | 179.7° | 178.8° |
| C34 | C33 | C32 | H331 | 125.2° | 122.7° |
| C34 | C33 | C32 | H332 | 125.2° | 119.5° |
| C34 | C33 | H331 | H332 | 116.9° | 116.5° |
| C34 | C33 | C32 | O12 | 64.3° | 62.5° |
| C34 | C33 | C32 | C31 | 51.3° | 58.3° |
| C34 | C33 | C32 | H32 | 171.2° | 180.0° |
| H34 | C34 | C33 | C32 | 74.7° | 57.9° |
| H34 | C34 | C33 | H331 | 160.0° | 179.5° |
| H34 | C34 | C33 | H332 | 50.6° | 63.3° |
| C32 | C33 | H331 | H332 | 117.0° | 119.9° |
| C33 | C32 | O12 | C31 | 122.5° | 122.8° |
| C33 | C32 | O12 | H32 | 117.9° | 119.1° |
| C33 | C32 | C31 | H32 | 118.1° | 121.9° |
| C33 | C32 | O12 | C42 | 79.0° | 59.0° |
| C33 | C32 | C31 | C39 | 68.8° | 58.3° |
| C33 | C32 | C31 | C30 | 172.9° | 178.2° |
| C33 | C32 | C31 | H31 | 51.0° | 61.9° |
| H331 | C33 | C32 | O12 | 170.5° | 174.8° |
| H331 | C33 | C32 | C31 | 73.9° | 64.3° |
| H331 | C33 | C32 | H32 | 46.0° | 57.3° |
| H332 | C33 | C32 | O12 | 60.9° | 57.0° |
| H332 | C33 | C32 | C31 | 176.6° | 177.8° |
| H332 | C33 | C32 | H32 | 63.5° | 60.5° |
| O12 | C32 | C31 | H32 | 124.4° | 116.8° |
| C32 | O12 | C42 | H421 | 180.0° | 127.6° |
| C32 | O12 | C42 | H422 | 54.8° | 111.7° |
| C32 | O12 | C42 | H423 | 54.8° | 7.9° |
| O12 | C32 | C31 | C39 | 173.7° | 179.7° |
| O12 | C32 | C31 | C30 | 55.4° | 56.8° |
| O12 | C32 | C31 | H31 | 66.5° | 59.5° |
| C31 | C32 | O12 | C42 | 158.5° | 178.1° |
| C32 | C31 | C39 | C30 | 117.9° | 122.8° |
| C32 | C31 | C39 | H31 | 120.2° | 121.4° |
| C32 | C31 | C30 | H31 | 120.1° | 118.1° |
| C32 | C31 | C39 | H391 | 180.0° | 58.8° |
| C32 | C31 | C39 | H392 | 54.8° | 178.1° |
| C32 | C31 | C39 | H393 | 54.7° | 62.4° |
| C32 | C31 | C30 | O11 | 56.7° | 62.5° |
| C32 | C31 | C30 | C29 | 124.1° | 118.2° |
| H32 | C32 | O12 | C42 | 38.9° | 60.0° |
| H32 | C32 | C31 | C39 | 49.4° | 63.5° |
| H32 | C32 | C31 | C30 | 69.0° | 60.0° |
| H32 | C32 | C31 | H31 | 169.1° | 176.3° |
| O12 | C42 | H421 | H422 | 125.2° | 120.4° |
| O12 | C42 | H421 | H423 | 125.2° | 119.4° |
| O12 | C42 | H422 | H423 | 113.6° | 119.4° |
| H421 | C42 | H422 | H423 | 113.6° | 120.2° |
| C39 | C31 | C30 | H31 | 119.7° | 116.2° |
| C31 | C39 | H391 | H392 | 125.2° | 121.3° |
| C31 | C39 | H391 | H393 | 125.3° | 122.9° |
| C31 | C39 | H392 | H393 | 117.5° | 121.5° |
| C39 | C31 | C30 | O11 | 63.5° | 63.2° |
| C39 | C31 | C30 | C29 | 115.8° | 116.2° |
| C30 | C31 | C39 | H391 | 62.1° | 64.0° |
| C30 | C31 | C39 | H392 | 172.6° | 55.3° |
| C30 | C31 | C39 | H393 | 63.2° | 174.8° |
| C31 | C30 | O11 | C29 | 179.2° | 179.3° |
| C31 | C30 | C29 | C28 | 177.8° | 64.2° |
| C31 | C30 | C29 | H291 | 52.5° | 60.0° |
| C31 | C30 | C29 | H292 | 57.0° | 175.4° |
| H31 | C31 | C39 | H391 | 59.8° | 179.8° |
| H31 | C31 | C39 | H392 | 65.4° | 60.5° |
| H31 | C31 | C39 | H393 | 174.9° | 59.0° |
| H31 | C31 | C30 | O11 | 176.8° | 179.4° |
| H31 | C31 | C30 | C29 | 4.0° | 0.1° |
| H391 | C39 | H392 | H393 | 117.6° | 116.2° |
| O11 | C30 | C29 | C28 | 3.0° | 116.4° |
| O11 | C30 | C29 | H291 | 128.3° | 119.4° |
| O11 | C30 | C29 | H292 | 122.3° | 3.9° |
| C30 | C29 | C28 | H291 | 125.3° | 123.7° |
| C30 | C29 | C28 | H292 | 125.3° | 118.7° |
| C30 | C29 | H291 | H292 | 115.8° | 115.3° |
| C30 | C29 | C28 | C27 | 175.2° | 176.7° |
| C30 | C29 | C28 | H281 | 50.0° | 60.0° |
| C30 | C29 | C28 | H282 | 59.6° | 54.7° |
| C28 | C29 | H291 | H292 | 115.7° | 119.2° |
| C29 | C28 | C27 | H281 | 125.2° | 122.7° |
| C29 | C28 | C27 | H282 | 125.2° | 121.8° |
| C29 | C28 | H281 | H282 | 116.1° | 116.4° |
| C29 | C28 | C27 | C38 | 67.5° | 57.3° |
| C29 | C28 | C27 | C26 | 162.9° | 178.0° |
| C29 | C28 | C27 | H27 | 48.5° | 58.5° |
| H291 | C29 | C28 | C27 | 59.5° | 53.1° |
| H291 | C29 | C28 | H281 | 175.3° | 176.4° |
| H291 | C29 | C28 | H282 | 65.7° | 69.0° |
| H292 | C29 | C28 | C27 | 49.9° | 64.6° |
| H292 | C29 | C28 | H281 | 75.3° | 58.7° |
| H292 | C29 | C28 | H282 | 175.1° | 173.4° |
| C27 | C28 | H281 | H282 | 116.0° | 117.4° |
| C28 | C27 | C38 | C26 | 129.9° | 125.3° |
| C28 | C27 | C38 | H27 | 115.7° | 116.3° |
| C28 | C27 | C26 | H27 | 115.4° | 119.4° |
| C28 | C27 | C38 | H381 | 180.0° | 64.4° |
| C28 | C27 | C38 | H382 | 54.7° | 55.6° |
| C28 | C27 | C38 | H383 | 54.8° | 174.4° |
| C28 | C27 | C26 | O10 | 64.8° | 58.9° |
| C28 | C27 | C26 | C25 | 59.6° | 62.7° |
| C28 | C27 | C26 | H26 | 177.6° | 177.2° |
| H281 | C28 | C27 | C38 | 167.3° | 180.0° |
| H281 | C28 | C27 | C26 | 37.7° | 55.3° |
| H281 | C28 | C27 | H27 | 76.7° | 64.2° |
| H282 | C28 | C27 | C38 | 57.7° | 64.5° |
| H282 | C28 | C27 | C26 | 71.9° | 60.2° |
| H282 | C28 | C27 | H27 | 173.8° | 179.7° |
| C38 | C27 | C26 | H27 | 115.8° | 117.9° |
| C27 | C38 | H381 | H382 | 125.3° | 121.7° |
| C27 | C38 | H381 | H383 | 125.3° | 123.0° |
| C27 | C38 | H382 | H383 | 117.3° | 121.5° |
| C38 | C27 | C26 | O10 | 166.4° | 178.4° |
| C38 | C27 | C26 | C25 | 69.2° | 60.0° |
| C38 | C27 | C26 | H26 | 48.8° | 60.1° |
| C26 | C27 | C38 | H381 | 50.2° | 60.9° |
| C26 | C27 | C38 | H382 | 75.1° | 179.1° |
| C26 | C27 | C38 | H383 | 175.4° | 60.2° |
| C27 | C26 | O10 | C25 | 123.5° | 123.9° |
| C27 | C26 | O10 | H26 | 118.7° | 120.0° |
| C27 | C26 | C25 | H26 | 118.7° | 121.4° |
| C27 | C26 | O10 | C43 | 81.3° | 60.1° |
| C27 | C26 | C25 | C24 | 173.8° | 178.6° |
| C27 | C26 | C25 | H251 | 60.9° | 58.8° |
| C27 | C26 | C25 | H252 | 48.5° | 60.6° |
| H27 | C27 | C38 | H381 | 64.3° | 179.3° |
| H27 | C27 | C38 | H382 | 170.5° | 60.7° |
| H27 | C27 | C38 | H383 | 60.9° | 58.1° |
| H27 | C27 | C26 | O10 | 50.6° | 60.5° |
| H27 | C27 | C26 | C25 | 175.0° | 178.0° |
| H27 | C27 | C26 | H26 | 67.0° | 57.8° |
| H381 | C38 | H382 | H383 | 117.2° | 116.1° |
| O10 | C26 | C25 | H26 | 117.5° | 115.6° |
| C26 | O10 | C43 | H431 | 180.0° | 69.8° |
| C26 | O10 | C43 | H432 | 54.7° | 169.4° |
| C26 | O10 | C43 | H433 | 54.7° | 49.8° |
| O10 | C26 | C25 | C24 | 62.5° | 55.6° |
| O10 | C26 | C25 | H251 | 62.8° | 64.1° |
| O10 | C26 | C25 | H252 | 172.3° | 176.5° |
| C25 | C26 | O10 | C43 | 155.3° | 176.0° |
| C26 | C25 | C24 | H251 | 125.3° | 121.6° |
| C26 | C25 | C24 | H252 | 125.2° | 121.7° |
| C26 | C25 | H251 | H252 | 118.1° | 120.6° |
| C26 | C25 | C24 | O2 | 63.0° | 60.5° |
| C26 | C25 | C24 | C23 | 175.6° | 58.4° |
| C26 | C25 | C24 | H24 | 62.1° | 179.8° |
| H26 | C26 | O10 | C43 | 37.4° | 60.0° |
| H26 | C26 | C25 | C24 | 55.1° | 60.0° |
| H26 | C26 | C25 | H251 | 179.6° | 179.8° |
| H26 | C26 | C25 | H252 | 70.2° | 60.8° |
| O10 | C43 | H431 | H432 | 125.3° | 120.5° |
| O10 | C43 | H431 | H433 | 125.3° | 119.4° |
| O10 | C43 | H432 | H433 | 116.1° | 119.4° |
| H431 | C43 | H432 | H433 | 116.1° | 120.1° |
| C24 | C25 | H251 | H252 | 118.1° | 117.0° |
| C25 | C24 | O2 | C23 | 117.2° | 122.0° |
| C25 | C24 | O2 | H24 | 121.2° | 118.6° |
| C25 | C24 | C23 | H24 | 121.8° | 121.4° |
| C25 | C24 | O2 | C1 | 118.7° | 90.9° |
| C25 | C24 | C23 | C37 | 55.0° | 64.4° |
| C25 | C24 | C23 | C22 | 175.7° | 169.4° |
| C25 | C24 | C23 | H23 | 61.4° | 53.6° |
| H251 | C25 | C24 | O2 | 171.7° | 61.1° |
| H251 | C25 | C24 | C23 | 59.1° | 180.0° |
| H251 | C25 | C24 | H24 | 63.2° | 58.2° |
| H252 | C25 | C24 | O2 | 62.3° | 177.8° |
| H252 | C25 | C24 | C23 | 50.3° | 63.3° |
| H252 | C25 | C24 | H24 | 172.7° | 58.5° |
| O2 | C24 | C23 | H24 | 125.0° | 119.8° |
| C24 | O2 | C1 | O1 | 3.5° | 3.7° |
| C24 | O2 | C1 | C2 | 177.5° | 175.7° |
| O2 | C24 | C23 | C37 | 168.3° | 176.8° |
| O2 | C24 | C23 | C22 | 62.4° | 50.6° |
| O2 | C24 | C23 | H23 | 51.8° | 65.2° |
| C23 | C24 | O2 | C1 | 124.0° | 147.1° |
| C24 | C23 | C37 | C22 | 127.8° | 127.0° |
| C24 | C23 | C37 | H23 | 118.3° | 118.1° |
| C24 | C23 | C22 | H23 | 117.9° | 117.1° |
| C24 | C23 | C37 | H371 | 180.0° | 4.6° |
| C24 | C23 | C37 | H372 | 54.7° | 124.6° |
| C24 | C23 | C37 | H373 | 54.8° | 115.4° |
| C24 | C23 | C22 | C21 | 151.6° | 64.1° |
| C24 | C23 | C22 | H221 | 26.4° | 59.7° |
| C24 | C23 | C22 | H222 | 83.0° | 173.9° |
| H24 | C24 | O2 | C1 | 2.4° | 27.7° |
| H24 | C24 | C23 | C37 | 66.7° | 57.0° |
| H24 | C24 | C23 | C22 | 62.6° | 69.2° |
| H24 | C24 | C23 | H23 | 176.8° | 175.0° |
| O2 | C1 | O1 | C2 | 179.0° | 179.3° |
| O2 | C1 | C2 | C3 | 138.6° | 122.8° |
| O2 | C1 | C2 | H21 | 13.3° | 1.4° |
| O2 | C1 | C2 | H22 | 96.1° | 115.1° |
| O1 | C1 | C2 | C3 | 40.5° | 56.7° |
| O1 | C1 | C2 | H21 | 165.8° | 178.0° |
| O1 | C1 | C2 | H22 | 84.8° | 65.5° |
| C1 | C2 | C3 | H21 | 125.3° | 120.8° |
| C1 | C2 | C3 | H22 | 125.3° | 119.7° |
| C1 | C2 | H21 | H22 | 116.3° | 116.4° |
| C1 | C2 | C3 | O3 | 67.6° | 66.3° |
| C1 | C2 | C3 | C4 | 166.8° | 173.9° |
| C1 | C2 | C3 | H3 | 52.6° | 51.1° |
| C3 | C2 | H21 | H22 | 116.3° | 121.8° |
| C2 | C3 | O3 | C4 | 125.1° | 120.8° |
| C2 | C3 | O3 | H3 | 120.8° | 118.8° |
| C2 | C3 | C4 | H3 | 120.2° | 122.6° |
| C2 | C3 | C4 | C5 | 164.4° | 177.9° |
| C2 | C3 | C4 | H41 | 70.3° | 60.0° |
| C2 | C3 | C4 | H42 | 39.2° | 57.1° |
| C2 | C3 | O3 | HO2 | 115.4° | 42.2° |
| H21 | C2 | C3 | O3 | 57.7° | 54.5° |
| H21 | C2 | C3 | C4 | 67.9° | 65.3° |
| H21 | C2 | C3 | H3 | 177.9° | 171.9° |
| H22 | C2 | C3 | O3 | 167.1° | 173.9° |
| H22 | C2 | C3 | C4 | 41.5° | 54.2° |
| H22 | C2 | C3 | H3 | 72.7° | 68.6° |
| O3 | C3 | C4 | H3 | 119.6° | 118.8° |
| O3 | C3 | C4 | C5 | 75.3° | 59.3° |
| O3 | C3 | C4 | H41 | 50.0° | 178.5° |
| O3 | C3 | C4 | H42 | 159.4° | 61.5° |
| C3 | C4 | C5 | H41 | 125.3° | 121.6° |
| C3 | C4 | C5 | H42 | 125.3° | 121.1° |
| C3 | C4 | H41 | H42 | 112.9° | 117.7° |
| C3 | C4 | C5 | O4 | 56.5° | 62.3° |
| C3 | C4 | C5 | C6 | 159.8° | 177.1° |
| C3 | C4 | C5 | H5 | 52.8° | 55.8° |
| C4 | C3 | O3 | HO2 | 119.5° | 78.6° |
| H3 | C3 | C4 | C5 | 44.3° | 59.5° |
| H3 | C3 | C4 | H41 | 169.5° | 62.7° |
| H3 | C3 | C4 | H42 | 81.0° | 179.7° |
| H3 | C3 | O3 | HO2 | 5.4° | 161.1° |
| C5 | C4 | H41 | H42 | 112.8° | 117.7° |
| C4 | C5 | O4 | C6 | 137.7° | 121.3° |
| C4 | C5 | O4 | H5 | 121.4° | 119.8° |
| C4 | C5 | C6 | H5 | 120.6° | 121.8° |
| C4 | C5 | O4 | HO4 | 180.0° | 42.0° |
| C4 | C5 | C6 | C7 | 49.7° | 168.0° |
| C4 | C5 | C6 | H61 | 75.6° | 72.1° |
| C4 | C5 | C6 | H62 | 174.9° | 47.3° |
| H41 | C4 | C5 | O4 | 178.2° | 59.4° |
| H41 | C4 | C5 | C6 | 34.5° | 61.3° |
| H41 | C4 | C5 | H5 | 72.5° | 177.4° |
| H42 | C4 | C5 | O4 | 68.8° | 176.7° |
| H42 | C4 | C5 | C6 | 74.9° | 56.0° |
| H42 | C4 | C5 | H5 | 178.1° | 65.3° |
| O4 | C5 | C6 | H5 | 102.4° | 117.8° |
| O4 | C5 | C6 | C7 | 173.3° | 71.5° |
| O4 | C5 | C6 | H61 | 61.5° | 48.3° |
| O4 | C5 | C6 | H62 | 48.0° | 167.8° |
| C6 | C5 | O4 | HO4 | 42.2° | 163.3° |
| C5 | C6 | C7 | H61 | 125.2° | 121.4° |
| C5 | C6 | C7 | H62 | 125.3° | 121.2° |
| C5 | C6 | H61 | H62 | 109.1° | 119.8° |
| C5 | C6 | C7 | C8 | 160.4° | 166.2° |
| C5 | C6 | C7 | O5 | 22.7° | 13.1° |
| H5 | C5 | O4 | HO4 | 58.6° | 77.7° |
| H5 | C5 | C6 | C7 | 70.9° | 46.2° |
| H5 | C5 | C6 | H61 | 163.8° | 166.1° |
| H5 | C5 | C6 | H62 | 54.3° | 74.4° |
| C7 | C6 | H61 | H62 | 109.2° | 117.1° |
| C6 | C7 | C8 | C9 | 166.7° | 87.8° |
| C6 | C7 | C8 | C36 | 50.8° | 39.0° |
| C6 | C7 | C8 | O5 | 176.9° | 179.3° |
| C6 | C7 | C8 | H8 | 60.7° | 154.2° |
| H61 | C6 | C7 | C8 | 35.1° | 72.4° |
| H61 | C6 | C7 | O5 | 147.9° | 108.3° |
| H62 | C6 | C7 | C8 | 74.4° | 45.0° |
| H62 | C6 | C7 | O5 | 102.6° | 134.3° |
| C37 | C23 | C22 | H23 | 115.6° | 116.2° |
| C23 | C37 | H371 | H372 | 125.3° | 121.3° |
| C23 | C37 | H371 | H373 | 125.2° | 121.3° |
| C23 | C37 | H372 | H373 | 118.0° | 121.3° |
| C37 | C23 | C22 | C21 | 81.9° | 62.6° |
| C37 | C23 | C22 | H221 | 152.9° | 173.6° |
| C37 | C23 | C22 | H222 | 43.5° | 59.4° |
| C22 | C23 | C37 | H371 | 52.2° | 131.6° |
| C22 | C23 | C37 | H372 | 73.1° | 108.4° |
| C22 | C23 | C37 | H373 | 177.4° | 11.6° |
| C23 | C22 | C21 | H221 | 125.2° | 123.2° |
| C23 | C22 | C21 | H222 | 125.3° | 122.0° |
| C23 | C22 | H221 | H222 | 116.8° | 116.4° |
| C23 | C22 | C21 | C20 | 75.3° | 168.7° |
| C23 | C22 | C21 | H211 | 159.5° | 68.5° |
| C23 | C22 | C21 | H212 | 50.0° | 49.7° |
| H23 | C23 | C37 | H371 | 61.7° | 113.5° |
| H23 | C23 | C37 | H372 | 173.0° | 6.5° |
| H23 | C23 | C37 | H373 | 63.5° | 126.5° |
| H23 | C23 | C22 | C21 | 33.8° | 178.8° |
| H23 | C23 | C22 | H221 | 91.4° | 57.4° |
| H23 | C23 | C22 | H222 | 159.1° | 56.8° |
| H371 | C37 | H372 | H373 | 118.0° | 117.3° |
| C21 | C22 | H221 | H222 | 116.8° | 116.8° |
| C22 | C21 | C20 | H211 | 125.3° | 122.4° |
| C22 | C21 | C20 | H212 | 125.3° | 121.0° |
| C22 | C21 | H211 | H212 | 118.9° | 120.5° |
| C22 | C21 | C20 | C19 | 122.5° | 119.0° |
| C22 | C21 | C20 | H20 | 57.5° | 62.2° |
| H221 | C22 | C21 | C20 | 49.9° | 45.4° |
| H221 | C22 | C21 | H211 | 75.3° | 168.3° |
| H221 | C22 | C21 | H212 | 175.2° | 73.5° |
| H222 | C22 | C21 | C20 | 159.4° | 69.3° |
| H222 | C22 | C21 | H211 | 34.2° | 53.5° |
| H222 | C22 | C21 | H212 | 75.4° | 171.7° |
| C20 | C21 | H211 | H212 | 118.8° | 116.7° |
| C21 | C20 | C19 | H20 | 180.0° | 178.7° |
| C21 | C20 | C19 | C18 | 180.0° | 178.3° |
| C21 | C20 | C19 | H19 | 0.0° | 1.0° |
| H211 | C21 | C20 | C19 | 112.2° | 3.4° |
| H211 | C21 | C20 | H20 | 67.8° | 175.4° |
| H212 | C21 | C20 | C19 | 2.8° | 120.0° |
| H212 | C21 | C20 | H20 | 177.2° | 58.8° |
| C20 | C19 | C18 | H19 | 180.0° | 179.3° |
| C20 | C19 | C18 | O9 | 173.1° | 179.9° |
| C20 | C19 | C18 | N3 | 9.4° | 0.5° |
| H20 | C20 | C19 | C18 | 0.0° | 0.4° |
| H20 | C20 | C19 | H19 | 180.0° | 179.7° |
| C19 | C18 | O9 | N3 | 177.8° | 179.4° |
| C19 | C18 | O9 | C17 | 178.3° | 179.1° |
| C19 | C18 | N3 | C16 | 179.8° | 178.9° |
| H19 | C19 | C18 | O9 | 6.9° | 0.5° |
| H19 | C19 | C18 | N3 | 170.6° | 178.8° |
| C18 | O9 | C17 | C16 | 3.5° | 0.1° |
| C18 | O9 | C17 | H17 | 176.5° | 179.7° |
| O9 | C18 | N3 | C16 | 2.3° | 0.5° |
| N3 | C18 | O9 | C17 | 4.0° | 0.4° |
| C18 | N3 | C16 | C17 | 0.2° | 0.5° |
| C18 | N3 | C16 | C15 | 172.4° | 179.1° |
| O9 | C17 | C16 | H17 | 180.0° | 179.6° |
| O9 | C17 | C16 | N3 | 2.6° | 0.2° |
| O9 | C17 | C16 | C15 | 172.7° | 179.3° |
| C17 | C16 | N3 | C15 | 172.2° | 179.5° |
| C17 | C16 | C15 | N2 | 175.3° | 178.7° |
| C17 | C16 | C15 | O8 | 3.4° | 1.9° |
| H17 | C17 | C16 | N3 | 177.5° | 179.9° |
| H17 | C17 | C16 | C15 | 7.4° | 0.3° |
| N3 | C16 | C15 | N2 | 4.7° | 1.8° |
| N3 | C16 | C15 | O8 | 167.2° | 177.6° |
| C16 | C15 | N2 | O8 | 172.1° | 179.5° |
| C16 | C15 | N2 | C13 | 173.9° | 179.2° |
| C16 | C15 | O8 | C14 | 173.2° | 179.2° |
| N2 | C15 | O8 | C14 | 1.2° | 0.3° |
| C15 | N2 | C13 | C14 | 4.0° | 0.1° |
| C15 | N2 | C13 | C12 | 176.1° | 179.7° |
| O8 | C15 | N2 | C13 | 1.8° | 0.3° |
| C15 | O8 | C14 | C13 | 3.9° | 0.2° |
| C15 | O8 | C14 | H14 | 176.1° | 179.8° |
| N2 | C13 | C14 | O8 | 4.9° | 0.0° |
| N2 | C13 | C14 | C12 | 169.4° | 179.9° |
| N2 | C13 | C14 | H14 | 175.1° | 180.0° |
| N2 | C13 | C12 | N1 | 8.4° | 3.5° |
| N2 | C13 | C12 | O7 | 167.3° | 176.3° |
| O8 | C14 | C13 | H14 | 180.0° | 180.0° |
| O8 | C14 | C13 | C12 | 174.3° | 179.9° |
| C14 | C13 | C12 | N1 | 176.7° | 176.7° |
| C14 | C13 | C12 | O7 | 1.0° | 3.5° |
| H14 | C14 | C13 | C12 | 5.8° | 0.1° |
| C13 | C12 | N1 | O7 | 175.9° | 179.8° |
| C13 | C12 | N1 | C10 | 177.3° | 179.5° |
| C13 | C12 | O7 | C11 | 178.7° | 179.6° |
| N1 | C12 | O7 | C11 | 2.0° | 0.2° |
| C12 | N1 | C10 | C11 | 0.3° | 0.2° |
| C12 | N1 | C10 | C9 | 177.6° | 179.8° |
| O7 | C12 | N1 | C10 | 1.5° | 0.3° |
| C12 | O7 | C11 | C10 | 1.9° | 0.1° |
| C12 | O7 | C11 | H11 | 178.1° | 179.9° |
| N1 | C10 | C11 | O7 | 1.0° | 0.1° |
| N1 | C10 | C11 | C9 | 177.7° | 179.6° |
| N1 | C10 | C11 | H11 | 179.0° | 179.9° |
| N1 | C10 | C9 | O6 | 149.6° | 43.4° |
| N1 | C10 | C9 | C8 | 81.5° | 83.6° |
| N1 | C10 | C9 | H9 | 31.6° | 158.1° |
| O7 | C11 | C10 | H11 | 180.0° | 180.0° |
| O7 | C11 | C10 | C9 | 178.7° | 179.7° |
| C11 | C10 | C9 | O6 | 27.7° | 136.2° |
| C11 | C10 | C9 | C8 | 101.2° | 96.9° |
| C11 | C10 | C9 | H9 | 145.7° | 21.5° |
| H11 | C11 | C10 | C9 | 1.3° | 0.3° |
| C10 | C9 | O6 | C8 | 121.7° | 127.8° |
| C10 | C9 | O6 | H9 | 125.8° | 116.1° |
| C10 | C9 | C8 | H9 | 125.4° | 118.3° |
| C10 | C9 | O6 | C44 | 75.0° | 60.0° |
| C10 | C9 | C8 | C36 | 57.4° | 171.9° |
| C10 | C9 | C8 | C7 | 83.5° | 61.3° |
| C10 | C9 | C8 | H8 | 166.7° | 55.0° |
| O6 | C9 | C8 | H9 | 117.0° | 114.7° |
| C9 | O6 | C44 | H441 | 179.9° | 141.9° |
| C9 | O6 | C44 | H442 | 54.7° | 97.3° |
| C9 | O6 | C44 | H443 | 54.8° | 22.3° |
| O6 | C9 | C8 | C36 | 60.2° | 61.0° |
| O6 | C9 | C8 | C7 | 159.0° | 65.8° |
| O6 | C9 | C8 | H8 | 49.1° | 177.9° |
| C8 | C9 | O6 | C44 | 163.4° | 172.2° |
| C9 | C8 | C36 | C7 | 142.3° | 127.4° |
| C9 | C8 | C36 | H8 | 105.8° | 118.1° |
| C9 | C8 | C7 | H8 | 106.0° | 118.0° |
| C9 | C8 | C36 | H361 | 180.0° | 160.6° |
| C9 | C8 | C36 | H362 | 54.7° | 79.4° |
| C9 | C8 | C36 | H363 | 54.7° | 40.6° |
| C9 | C8 | C7 | O5 | 10.2° | 91.5° |
| H9 | C9 | O6 | C44 | 50.8° | 56.1° |
| H9 | C9 | C8 | C36 | 177.2° | 53.7° |
| H9 | C9 | C8 | C7 | 42.0° | 179.6° |
| H9 | C9 | C8 | H8 | 67.9° | 63.3° |
| O6 | C44 | H441 | H442 | 125.3° | 120.5° |
| O6 | C44 | H441 | H443 | 125.2° | 119.4° |
| O6 | C44 | H442 | H443 | 114.4° | 119.4° |
| H441 | C44 | H442 | H443 | 114.3° | 120.1° |
| C36 | C8 | C7 | H8 | 111.5° | 115.2° |
| C8 | C36 | H361 | H362 | 125.3° | 121.3° |
| C8 | C36 | H361 | H363 | 125.2° | 121.3° |
| C8 | C36 | H362 | H363 | 115.0° | 121.3° |
| C36 | C8 | C7 | O5 | 132.3° | 141.7° |
| C7 | C8 | C36 | H361 | 37.6° | 33.2° |
| C7 | C8 | C36 | H362 | 163.0° | 153.2° |
| C7 | C8 | C36 | H363 | 87.6° | 86.8° |
| H8 | C8 | C36 | H361 | 74.2° | 81.3° |
| H8 | C8 | C36 | H362 | 51.1° | 38.7° |
| H8 | C8 | C36 | H363 | 160.5° | 158.7° |
| H8 | C8 | C7 | O5 | 116.2° | 26.5° |
| H361 | C36 | H362 | H363 | 115.0° | 117.3° |
