RU6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C26 | sing | 1.43Å | 1.44Å | |
| O9 | C22 | sing | 1.43Å | 1.39Å | |
| O7 | C22 | sing | 1.43Å | 1.36Å | |
| O7 | C5 | sing | 1.44Å | 1.41Å | |
| O8 | C23 | sing | 1.43Å | 1.47Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O2 | C1 | sing | 1.37Å | 1.33Å | |
| O2 | C13 | sing | 1.44Å | 1.49Å | |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| O12 | C39 | doub | 1.22Å | 1.25Å | |
| O13 | C39 | sing | 1.37Å | 1.43Å | |
| O13 | C12 | sing | 1.45Å | 1.47Å | |
| O10 | C6 | sing | 1.43Å | 1.53Å | |
| O10 | C38 | sing | 1.42Å | 1.46Å | |
| O11 | C9 | doub | 1.23Å | 1.15Å | |
| O3 | C14 | sing | 1.42Å | 1.44Å | |
| O3 | C3 | sing | 1.43Å | 1.47Å | |
| O5 | C20 | sing | 1.42Å | 1.48Å | |
| O5 | C16 | sing | 1.43Å | 1.50Å | |
| O6 | C17 | sing | 1.42Å | 1.48Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | C18 | sing | 1.43Å | 1.43Å | |
| O4 | C14 | sing | 1.43Å | 1.44Å | |
| N1 | C28 | sing | 1.46Å | 1.41Å | |
| N1 | C29 | sing | 1.46Å | 1.49Å | |
| N1 | C24 | sing | 1.46Å | 1.49Å | |
| N2 | C40 | sing | 1.45Å | 1.57Å | |
| N2 | C11 | sing | 1.46Å | 1.49Å | |
| N2 | C39 | sing | 1.38Å | 1.36Å | |
| N3 | C51 | sing | 1.36Å | 1.42Å | Aromatic |
| N3 | C43 | sing | 1.46Å | 1.49Å | |
| N3 | C44 | sing | 1.36Å | 1.39Å | Aromatic |
| N4 | C45 | sing | 1.37Å | 1.42Å | Aromatic |
| N4 | C44 | doub | 1.32Å | 1.35Å | Aromatic |
| N5 | C49 | doub | 1.35Å | 1.38Å | Aromatic |
| N5 | C50 | sing | 1.35Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.52Å | 1.44Å | |
| C2 | C3 | sing | 1.55Å | 1.48Å | |
| C2 | C30 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.57Å | 1.67Å | |
| C4 | C31 | sing | 1.54Å | 1.49Å | |
| C4 | C3 | sing | 1.55Å | 1.58Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.57Å | 1.60Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C23 | C24 | sing | 1.54Å | 1.56Å | |
| C23 | H23 | sing | 1.10Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.58Å | |
| C24 | H24 | sing | 1.10Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C26 | C27 | sing | 1.52Å | 1.49Å | |
| C26 | H26 | sing | 1.10Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C6 | C32 | sing | 1.54Å | 1.54Å | |
| C6 | C7 | sing | 1.55Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | C33 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.60Å | |
| C8 | H8 | sing | 1.10Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.54Å | 1.43Å | |
| C10 | C34 | sing | 1.53Å | 1.58Å | |
| C10 | C11 | sing | 1.56Å | 1.58Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.56Å | 1.57Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| C13 | C12 | sing | 1.56Å | 1.54Å | |
| C13 | C36 | sing | 1.53Å | 1.57Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C12 | C35 | sing | 1.53Å | 1.54Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.52Å | 1.59Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.50Å | |
| C41 | H411 | sing | 1.10Å | 1.10Å | |
| C41 | H412 | sing | 1.10Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C42 | H421 | sing | 1.10Å | 1.10Å | |
| C42 | H422 | sing | 1.10Å | 1.10Å | |
| C43 | H431 | sing | 1.10Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | C51 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C46 | sing | 1.43Å | 1.57Å | Aromatic |
| C46 | C47 | sing | 1.39Å | 1.47Å | Aromatic |
| C46 | C50 | doub | 1.39Å | 1.46Å | Aromatic |
| C47 | C48 | doub | 1.39Å | 1.45Å | Aromatic |
| C47 | H47 | sing | 1.09Å | 1.08Å | |
| C48 | C49 | sing | 1.39Å | 1.45Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C49 | H49 | sing | 1.08Å | 1.08Å | |
| C50 | H50 | sing | 1.09Å | 1.08Å | |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | H361 | sing | 1.08Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.54Å | 1.54Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C16 | C17 | sing | 1.54Å | 1.61Å | |
| C16 | C19 | sing | 1.53Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.54Å | 1.57Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| C18 | C21 | sing | 1.53Å | 1.59Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O9 | C22 | 111.3° | 112.6° |
| O9 | C26 | C25 | 109.8° | 109.6° |
| O9 | C26 | C27 | 104.0° | 107.7° |
| O9 | C26 | H26 | 114.4° | 109.1° |
| O9 | C22 | O7 | 108.5° | 109.7° |
| O9 | C22 | C23 | 113.7° | 110.8° |
| O9 | C22 | H22 | 106.8° | 109.9° |
| C22 | O7 | C5 | 120.7° | 111.0° |
| O7 | C22 | C23 | 107.8° | 107.9° |
| O7 | C22 | H22 | 112.8° | 106.8° |
| O7 | C5 | C4 | 107.3° | 108.6° |
| O7 | C5 | C6 | 105.3° | 106.9° |
| O7 | C5 | H5 | 115.7° | 106.8° |
| C23 | O8 | HO8 | 109.5° | 106.5° |
| O8 | C23 | C22 | 106.6° | 107.9° |
| O8 | C23 | C24 | 111.1° | 109.9° |
| O8 | C23 | H23 | 110.7° | 107.7° |
| C1 | O2 | C13 | 113.0° | 117.7° |
| O2 | C1 | O1 | 126.1° | 125.9° |
| O2 | C1 | C2 | 109.1° | 109.1° |
| O2 | C13 | C12 | 110.0° | 108.2° |
| O2 | C13 | C36 | 102.3° | 108.7° |
| O2 | C13 | H13 | 118.9° | 109.8° |
| O1 | C1 | C2 | 124.8° | 124.9° |
| O12 | C39 | O13 | 122.7° | 123.4° |
| O12 | C39 | N2 | 136.9° | 127.8° |
| C39 | O13 | C12 | 108.9° | 108.6° |
| O13 | C39 | N2 | 100.4° | 108.8° |
| O13 | C12 | C11 | 95.7° | 103.2° |
| O13 | C12 | C13 | 111.7° | 107.7° |
| O13 | C12 | C35 | 106.4° | 107.7° |
| C6 | O10 | C38 | 114.5° | 111.3° |
| O10 | C6 | C5 | 99.4° | 110.0° |
| O10 | C6 | C32 | 112.9° | 106.4° |
| O10 | C6 | C7 | 111.5° | 108.9° |
| O10 | C38 | H381 | 109.5° | 109.5° |
| O10 | C38 | H382 | 109.5° | 109.6° |
| O10 | C38 | H383 | 109.5° | 109.0° |
| O11 | C9 | C8 | 118.5° | 119.2° |
| O11 | C9 | C10 | 122.7° | 121.6° |
| C14 | O3 | C3 | 110.9° | 111.4° |
| O3 | C14 | O4 | 109.8° | 112.6° |
| O3 | C14 | C15 | 108.1° | 110.1° |
| O3 | C14 | H14 | 111.3° | 106.7° |
| O3 | C3 | C2 | 111.4° | 109.6° |
| O3 | C3 | C4 | 107.5° | 110.8° |
| O3 | C3 | H3 | 110.7° | 106.3° |
| C20 | O5 | C16 | 115.8° | 111.1° |
| O5 | C20 | H201 | 109.5° | 109.5° |
| O5 | C20 | H202 | 109.5° | 109.6° |
| O5 | C20 | H203 | 109.5° | 108.9° |
| O5 | C16 | C15 | 104.7° | 109.3° |
| O5 | C16 | C17 | 108.7° | 110.0° |
| O5 | C16 | C19 | 111.4° | 106.0° |
| C17 | O6 | HO6 | 109.5° | 106.6° |
| O6 | C17 | C16 | 109.9° | 110.9° |
| O6 | C17 | C18 | 104.9° | 109.1° |
| O6 | C17 | H17 | 114.5° | 107.6° |
| C18 | O4 | C14 | 116.2° | 113.9° |
| O4 | C18 | C17 | 114.3° | 110.4° |
| O4 | C18 | C21 | 109.6° | 107.2° |
| O4 | C18 | H18 | 106.9° | 109.6° |
| O4 | C14 | C15 | 112.5° | 111.1° |
| O4 | C14 | H14 | 106.8° | 107.1° |
| C28 | N1 | C29 | 100.4° | 110.5° |
| C28 | N1 | C24 | 114.6° | 110.4° |
| N1 | C28 | H281 | 109.5° | 110.1° |
| N1 | C28 | H282 | 109.5° | 110.3° |
| N1 | C28 | H283 | 109.4° | 110.2° |
| C29 | N1 | C24 | 117.3° | 110.4° |
| N1 | C29 | H291 | 109.5° | 110.1° |
| N1 | C29 | H292 | 109.5° | 110.2° |
| N1 | C29 | H293 | 109.5° | 110.2° |
| N1 | C24 | C23 | 110.3° | 110.8° |
| N1 | C24 | C25 | 117.0° | 109.5° |
| N1 | C24 | H24 | 101.7° | 107.3° |
| C40 | N2 | C11 | 123.6° | 124.0° |
| C40 | N2 | C39 | 106.2° | 124.5° |
| N2 | C40 | C41 | 112.9° | 112.4° |
| N2 | C40 | H401 | 108.3° | 106.9° |
| N2 | C40 | H402 | 107.6° | 107.9° |
| C11 | N2 | C39 | 106.2° | 111.4° |
| N2 | C11 | C10 | 127.0° | 113.9° |
| N2 | C11 | C12 | 89.3° | 99.4° |
| N2 | C11 | H11 | 117.5° | 108.1° |
| C51 | N3 | C43 | 123.8° | 125.8° |
| C51 | N3 | C44 | 108.2° | 108.6° |
| N3 | C51 | C45 | 108.0° | 104.3° |
| N3 | C51 | H51 | 126.0° | 122.8° |
| C43 | N3 | C44 | 127.9° | 125.7° |
| N3 | C43 | C42 | 97.9° | 112.1° |
| N3 | C43 | H431 | 113.5° | 107.7° |
| N3 | C43 | H432 | 115.9° | 107.7° |
| N3 | C44 | N4 | 107.0° | 111.2° |
| N3 | C44 | H44 | 126.5° | 123.0° |
| C45 | N4 | C44 | 111.1° | 104.8° |
| N4 | C45 | C51 | 105.6° | 111.2° |
| N4 | C45 | C46 | 126.9° | 124.0° |
| N4 | C44 | H44 | 126.5° | 125.7° |
| C49 | N5 | C50 | 122.6° | 116.3° |
| N5 | C49 | C48 | 120.1° | 124.0° |
| N5 | C49 | H49 | 119.9° | 115.2° |
| N5 | C50 | C46 | 121.3° | 124.2° |
| N5 | C50 | H50 | 119.4° | 114.4° |
| C1 | C2 | C3 | 100.4° | 108.3° |
| C1 | C2 | C30 | 103.1° | 108.6° |
| C1 | C2 | H2 | 122.8° | 106.3° |
| C3 | C2 | C30 | 119.5° | 115.2° |
| C3 | C2 | H2 | 107.4° | 110.4° |
| C2 | C3 | C4 | 112.8° | 114.5° |
| C2 | C3 | H3 | 105.3° | 107.6° |
| C30 | C2 | H2 | 104.9° | 107.6° |
| C2 | C30 | H301 | 109.5° | 110.6° |
| C2 | C30 | H302 | 109.5° | 110.6° |
| C2 | C30 | H303 | 109.5° | 110.6° |
| H301 | C30 | H302 | 109.5° | 108.3° |
| H301 | C30 | H303 | 109.5° | 108.4° |
| H302 | C30 | H303 | 109.5° | 108.4° |
| C5 | C4 | C31 | 118.0° | 109.7° |
| C5 | C4 | C3 | 109.6° | 113.9° |
| C5 | C4 | H4 | 103.3° | 108.1° |
| C4 | C5 | C6 | 115.1° | 117.9° |
| C4 | C5 | H5 | 105.9° | 107.9° |
| C31 | C4 | C3 | 109.5° | 111.2° |
| C31 | C4 | H4 | 103.4° | 105.2° |
| C4 | C31 | H311 | 109.5° | 110.5° |
| C4 | C31 | H312 | 109.4° | 110.6° |
| C4 | C31 | H313 | 109.4° | 110.6° |
| C3 | C4 | H4 | 112.9° | 108.3° |
| C4 | C3 | H3 | 109.3° | 107.6° |
| H311 | C31 | H312 | 109.5° | 108.3° |
| H311 | C31 | H313 | 109.5° | 108.3° |
| H312 | C31 | H313 | 109.5° | 108.4° |
| C6 | C5 | H5 | 107.9° | 108.4° |
| C5 | C6 | C32 | 112.1° | 108.7° |
| C5 | C6 | C7 | 106.8° | 111.6° |
| C23 | C22 | H22 | 107.4° | 111.6° |
| C22 | C23 | C24 | 110.4° | 110.9° |
| C22 | C23 | H23 | 111.3° | 109.7° |
| C24 | C23 | H23 | 106.8° | 110.6° |
| C23 | C24 | C25 | 102.6° | 110.4° |
| C23 | C24 | H24 | 116.3° | 109.3° |
| C25 | C24 | H24 | 109.5° | 109.5° |
| C24 | C25 | C26 | 108.8° | 110.3° |
| C24 | C25 | H251 | 109.7° | 110.4° |
| C24 | C25 | H252 | 109.9° | 109.3° |
| C26 | C25 | H251 | 109.7° | 110.2° |
| C26 | C25 | H252 | 109.9° | 109.2° |
| C25 | C26 | C27 | 114.0° | 111.1° |
| C25 | C26 | H26 | 104.5° | 110.8° |
| H251 | C25 | H252 | 108.9° | 107.4° |
| C27 | C26 | H26 | 110.2° | 108.4° |
| C26 | C27 | H271 | 109.5° | 110.6° |
| C26 | C27 | H272 | 109.4° | 110.6° |
| C26 | C27 | H273 | 109.4° | 110.6° |
| H271 | C27 | H272 | 109.5° | 108.4° |
| H271 | C27 | H273 | 109.5° | 108.4° |
| H272 | C27 | H273 | 109.5° | 108.3° |
| H281 | C28 | H282 | 109.5° | 108.8° |
| H281 | C28 | H283 | 109.4° | 108.7° |
| H282 | C28 | H283 | 109.5° | 108.7° |
| H291 | C29 | H292 | 109.5° | 108.7° |
| H291 | C29 | H293 | 109.4° | 108.8° |
| H292 | C29 | H293 | 109.4° | 108.7° |
| C32 | C6 | C7 | 113.3° | 111.1° |
| C6 | C32 | H321 | 109.5° | 110.6° |
| C6 | C32 | H322 | 109.4° | 110.5° |
| C6 | C32 | H323 | 109.5° | 110.5° |
| C6 | C7 | C8 | 126.6° | 116.3° |
| C6 | C7 | H71 | 104.1° | 108.9° |
| C6 | C7 | H72 | 100.1° | 108.3° |
| H321 | C32 | H322 | 109.5° | 108.4° |
| H321 | C32 | H323 | 109.4° | 108.4° |
| H322 | C32 | H323 | 109.5° | 108.3° |
| C8 | C7 | H71 | 104.1° | 107.8° |
| C8 | C7 | H72 | 100.1° | 108.2° |
| C7 | C8 | C33 | 105.5° | 111.1° |
| C7 | C8 | C9 | 115.7° | 112.3° |
| C7 | C8 | H8 | 107.2° | 109.4° |
| H71 | C7 | H72 | 124.1° | 106.9° |
| C33 | C8 | C9 | 106.6° | 111.9° |
| C33 | C8 | H8 | 116.2° | 105.3° |
| C8 | C33 | H331 | 109.5° | 110.6° |
| C8 | C33 | H332 | 109.4° | 110.6° |
| C8 | C33 | H333 | 109.4° | 110.6° |
| C9 | C8 | H8 | 106.1° | 106.5° |
| C8 | C9 | C10 | 118.8° | 119.2° |
| H331 | C33 | H332 | 109.5° | 108.4° |
| H331 | C33 | H333 | 109.4° | 108.3° |
| H332 | C33 | H333 | 109.5° | 108.3° |
| C9 | C10 | C34 | 104.1° | 108.9° |
| C9 | C10 | C11 | 111.7° | 112.4° |
| C9 | C10 | H10 | 115.9° | 105.1° |
| C34 | C10 | C11 | 119.8° | 115.2° |
| C34 | C10 | H10 | 107.1° | 107.2° |
| C10 | C34 | H341 | 109.5° | 110.5° |
| C10 | C34 | H342 | 109.5° | 110.6° |
| C10 | C34 | H343 | 109.4° | 110.5° |
| C11 | C10 | H10 | 98.7° | 107.5° |
| C10 | C11 | C12 | 121.0° | 115.9° |
| C10 | C11 | H11 | 82.4° | 108.7° |
| C12 | C11 | H11 | 124.0° | 110.3° |
| C11 | C12 | C13 | 108.1° | 110.4° |
| C11 | C12 | C35 | 118.5° | 115.8° |
| C12 | C13 | C36 | 121.4° | 114.2° |
| C12 | C13 | H13 | 98.5° | 109.0° |
| C13 | C12 | C35 | 114.8° | 111.3° |
| C36 | C13 | H13 | 106.8° | 107.0° |
| C13 | C36 | C37 | 117.0° | 110.8° |
| C13 | C36 | H361 | 107.0° | 107.6° |
| C13 | C36 | H362 | 105.3° | 107.5° |
| C12 | C35 | H351 | 109.5° | 110.6° |
| C12 | C35 | H352 | 109.4° | 110.6° |
| C12 | C35 | H353 | 109.5° | 110.6° |
| H351 | C35 | H352 | 109.5° | 108.4° |
| H351 | C35 | H353 | 109.5° | 108.4° |
| H352 | C35 | H353 | 109.5° | 108.3° |
| H381 | C38 | H382 | 109.5° | 110.0° |
| H381 | C38 | H383 | 109.5° | 109.4° |
| H382 | C38 | H383 | 109.4° | 109.3° |
| C41 | C40 | H401 | 108.4° | 110.0° |
| C41 | C40 | H402 | 107.6° | 111.3° |
| C40 | C41 | C42 | 98.2° | 112.6° |
| C40 | C41 | H411 | 113.4° | 109.7° |
| C40 | C41 | H412 | 115.7° | 108.6° |
| H401 | C40 | H402 | 112.2° | 108.2° |
| C42 | C41 | H411 | 113.4° | 109.5° |
| C42 | C41 | H412 | 115.7° | 109.1° |
| C41 | C42 | C43 | 121.7° | 111.1° |
| C41 | C42 | H421 | 105.6° | 109.7° |
| C41 | C42 | H422 | 102.7° | 110.1° |
| H411 | C41 | H412 | 101.2° | 107.2° |
| C43 | C42 | H421 | 105.6° | 109.8° |
| C43 | C42 | H422 | 102.7° | 109.5° |
| C42 | C43 | H431 | 113.5° | 111.0° |
| C42 | C43 | H432 | 115.8° | 111.0° |
| H421 | C42 | H422 | 119.6° | 106.6° |
| H431 | C43 | H432 | 101.0° | 107.1° |
| C51 | C45 | C46 | 127.5° | 124.9° |
| C45 | C51 | H51 | 126.0° | 132.9° |
| C45 | C46 | C47 | 122.6° | 121.2° |
| C45 | C46 | C50 | 120.9° | 121.2° |
| C47 | C46 | C50 | 116.5° | 117.6° |
| C46 | C47 | C48 | 120.4° | 119.9° |
| C46 | C47 | H47 | 119.8° | 120.8° |
| C46 | C50 | H50 | 119.4° | 121.4° |
| C48 | C47 | H47 | 119.8° | 119.3° |
| C47 | C48 | C49 | 119.1° | 117.9° |
| C47 | C48 | H48 | 120.5° | 121.0° |
| C49 | C48 | H48 | 120.4° | 121.1° |
| C48 | C49 | H49 | 119.9° | 120.8° |
| H341 | C34 | H342 | 109.5° | 108.3° |
| H341 | C34 | H343 | 109.4° | 108.4° |
| H342 | C34 | H343 | 109.5° | 108.4° |
| C37 | C36 | H361 | 107.0° | 111.0° |
| C37 | C36 | H362 | 105.3° | 111.0° |
| C36 | C37 | H371 | 109.5° | 111.6° |
| C36 | C37 | H372 | 109.5° | 111.6° |
| C36 | C37 | H373 | 109.4° | 109.3° |
| H361 | C36 | H362 | 115.6° | 108.9° |
| H371 | C37 | H372 | 109.5° | 107.8° |
| H371 | C37 | H373 | 109.5° | 108.2° |
| H372 | C37 | H373 | 109.5° | 108.3° |
| C15 | C14 | H14 | 108.5° | 109.0° |
| C14 | C15 | C16 | 111.4° | 112.4° |
| C14 | C15 | H151 | 108.9° | 108.3° |
| C14 | C15 | H152 | 108.4° | 109.3° |
| C16 | C15 | H151 | 108.8° | 108.6° |
| C16 | C15 | H152 | 108.4° | 109.7° |
| C15 | C16 | C17 | 111.7° | 109.4° |
| C15 | C16 | C19 | 107.9° | 110.1° |
| H151 | C15 | H152 | 110.9° | 108.4° |
| C17 | C16 | C19 | 112.2° | 111.8° |
| C16 | C17 | C18 | 115.6° | 111.6° |
| C16 | C17 | H17 | 103.6° | 108.6° |
| C16 | C19 | H191 | 109.5° | 110.5° |
| C16 | C19 | H192 | 109.5° | 110.6° |
| C16 | C19 | H193 | 109.4° | 110.5° |
| H201 | C20 | H202 | 109.5° | 110.1° |
| H201 | C20 | H203 | 109.5° | 109.3° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.4° | 108.4° |
| H191 | C19 | H193 | 109.5° | 108.3° |
| H192 | C19 | H193 | 109.5° | 108.4° |
| C18 | C17 | H17 | 108.7° | 108.9° |
| C17 | C18 | C21 | 112.2° | 111.6° |
| C17 | C18 | H18 | 104.1° | 110.8° |
| C21 | C18 | H18 | 109.3° | 107.1° |
| C18 | C21 | H211 | 109.5° | 110.6° |
| C18 | C21 | H212 | 109.5° | 110.6° |
| C18 | C21 | H213 | 109.5° | 110.6° |
| H211 | C21 | H212 | 109.5° | 108.3° |
| H211 | C21 | H213 | 109.5° | 108.3° |
| H212 | C21 | H213 | 109.5° | 108.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | O9 | C22 | O7 | 179.0° | 179.6° |
| C26 | O9 | C22 | C23 | 59.1° | 61.4° |
| C26 | O9 | C22 | H22 | 59.2° | 62.4° |
| O9 | C26 | C25 | C24 | 62.6° | 57.9° |
| O9 | C26 | C25 | C27 | 116.3° | 119.0° |
| O9 | C26 | C25 | H26 | 123.2° | 120.4° |
| O9 | C26 | C25 | H251 | 177.4° | 179.9° |
| O9 | C26 | C25 | H252 | 57.7° | 62.2° |
| O9 | C26 | C27 | H26 | 123.1° | 117.9° |
| O9 | C26 | C27 | H271 | 57.4° | 167.1° |
| O9 | C26 | C27 | H272 | 177.4° | 72.9° |
| O9 | C26 | C27 | H273 | 62.6° | 47.0° |
| O9 | C22 | O7 | C23 | 123.5° | 120.8° |
| O9 | C22 | O7 | H22 | 118.0° | 119.1° |
| O9 | C22 | O7 | C5 | 59.9° | 59.1° |
| O9 | C22 | C23 | O8 | 178.8° | 174.2° |
| O9 | C22 | C23 | H22 | 117.9° | 122.8° |
| O9 | C22 | C23 | C24 | 60.5° | 53.8° |
| O9 | C22 | C23 | H23 | 58.0° | 68.7° |
| C22 | O9 | C26 | C25 | 59.6° | 63.3° |
| C22 | O9 | C26 | C27 | 177.9° | 175.6° |
| C22 | O9 | C26 | H26 | 57.6° | 58.1° |
| O7 | C22 | C23 | O8 | 58.5° | 65.7° |
| C22 | O7 | C5 | C4 | 108.3° | 116.0° |
| C22 | O7 | C5 | C6 | 128.6° | 115.9° |
| C22 | O7 | C5 | H5 | 9.6° | 0.0° |
| O7 | C22 | C23 | H22 | 121.8° | 117.0° |
| O7 | C22 | C23 | C24 | 179.2° | 173.9° |
| O7 | C22 | C23 | H23 | 62.3° | 51.4° |
| O7 | C5 | C6 | O10 | 179.5° | 171.7° |
| O7 | C5 | C4 | C6 | 116.8° | 121.6° |
| O7 | C5 | C4 | H5 | 124.1° | 115.4° |
| O7 | C5 | C4 | C31 | 1.1° | 52.8° |
| O7 | C5 | C4 | C3 | 125.0° | 178.2° |
| O7 | C5 | C4 | H4 | 114.4° | 61.3° |
| O7 | C5 | C6 | H5 | 124.1° | 114.7° |
| C5 | O7 | C22 | C23 | 176.6° | 179.9° |
| C5 | O7 | C22 | H22 | 58.1° | 60.0° |
| O7 | C5 | C6 | C32 | 61.0° | 55.6° |
| O7 | C5 | C6 | C7 | 63.6° | 67.2° |
| O8 | C23 | C24 | N1 | 58.3° | 69.2° |
| O8 | C23 | C22 | C24 | 120.8° | 120.4° |
| O8 | C23 | C22 | H23 | 120.7° | 117.1° |
| O8 | C23 | C22 | H22 | 63.3° | 51.4° |
| O8 | C23 | C24 | H23 | 120.8° | 118.7° |
| O8 | C23 | C24 | C25 | 176.4° | 169.3° |
| O8 | C23 | C24 | H24 | 56.8° | 48.8° |
| HO8 | O8 | C23 | C22 | 173.7° | 39.5° |
| HO8 | O8 | C23 | C24 | 53.4° | 81.5° |
| HO8 | O8 | C23 | H23 | 65.1° | 157.9° |
| O2 | C1 | O1 | C2 | 178.6° | 178.1° |
| O2 | C1 | C2 | C3 | 119.3° | 79.6° |
| O2 | C1 | C2 | C30 | 116.9° | 154.6° |
| O2 | C1 | C2 | H2 | 0.7° | 39.1° |
| C1 | O2 | C13 | C12 | 130.2° | 150.4° |
| C1 | O2 | C13 | C36 | 99.5° | 85.1° |
| C1 | O2 | C13 | H13 | 17.8° | 31.5° |
| C13 | O2 | C1 | O1 | 15.6° | 2.7° |
| O2 | C13 | C12 | O13 | 176.4° | 179.8° |
| C13 | O2 | C1 | C2 | 163.3° | 175.7° |
| O2 | C13 | C12 | C11 | 72.4° | 68.2° |
| O2 | C13 | C12 | C36 | 119.2° | 121.1° |
| O2 | C13 | C12 | H13 | 125.1° | 119.3° |
| O2 | C13 | C36 | H13 | 125.6° | 118.4° |
| O2 | C13 | C12 | C35 | 62.3° | 61.9° |
| O2 | C13 | C36 | C37 | 90.5° | 60.6° |
| O2 | C13 | C36 | H361 | 149.5° | 60.9° |
| O2 | C13 | C36 | H362 | 25.9° | 178.0° |
| O1 | C1 | C2 | C3 | 61.9° | 98.8° |
| O1 | C1 | C2 | C30 | 61.9° | 27.0° |
| O1 | C1 | C2 | H2 | 179.5° | 142.6° |
| O12 | C39 | O13 | N2 | 179.6° | 179.8° |
| O12 | C39 | O13 | C12 | 179.2° | 166.8° |
| O12 | C39 | N2 | C40 | 6.2° | 4.8° |
| O12 | C39 | N2 | C11 | 139.3° | 173.1° |
| O13 | C39 | N2 | C40 | 173.3° | 175.4° |
| O13 | C39 | N2 | C11 | 40.2° | 6.7° |
| C39 | O13 | C12 | C11 | 35.7° | 26.3° |
| C39 | O13 | C12 | C13 | 76.4° | 90.5° |
| C39 | O13 | C12 | C35 | 157.6° | 149.3° |
| O13 | C12 | C11 | N2 | 52.5° | 27.9° |
| C12 | O13 | C39 | N2 | 0.4° | 13.4° |
| O13 | C12 | C11 | C10 | 81.5° | 94.6° |
| O13 | C12 | C11 | C13 | 115.1° | 114.9° |
| O13 | C12 | C11 | C35 | 112.2° | 117.4° |
| O13 | C12 | C11 | H11 | 175.7° | 141.3° |
| O13 | C12 | C13 | C35 | 121.2° | 117.9° |
| O13 | C12 | C13 | C36 | 64.4° | 58.6° |
| O13 | C12 | C13 | H13 | 51.3° | 60.9° |
| O13 | C12 | C35 | H351 | 113.2° | 100.3° |
| O13 | C12 | C35 | H352 | 126.8° | 139.7° |
| O13 | C12 | C35 | H353 | 6.8° | 19.7° |
| O10 | C6 | C5 | C4 | 61.6° | 65.8° |
| O10 | C6 | C5 | C32 | 119.5° | 116.1° |
| O10 | C6 | C5 | C7 | 115.9° | 121.1° |
| O10 | C6 | C5 | H5 | 56.4° | 57.0° |
| O10 | C6 | C32 | C7 | 127.9° | 118.4° |
| O10 | C6 | C32 | H321 | 10.0° | 59.2° |
| O10 | C6 | C32 | H322 | 110.0° | 179.3° |
| O10 | C6 | C32 | H323 | 130.0° | 60.8° |
| O10 | C6 | C7 | C8 | 70.4° | 62.9° |
| O10 | C6 | C7 | H71 | 49.6° | 59.2° |
| O10 | C6 | C7 | H72 | 178.9° | 175.1° |
| C6 | O10 | C38 | H381 | 33.7° | 77.9° |
| C6 | O10 | C38 | H382 | 153.8° | 42.9° |
| C6 | O10 | C38 | H383 | 86.3° | 162.5° |
| C38 | O10 | C6 | C5 | 83.5° | 57.3° |
| C38 | O10 | C6 | C32 | 35.4° | 60.2° |
| C38 | O10 | C6 | C7 | 164.2° | 180.0° |
| O10 | C38 | H381 | H382 | 120.0° | 120.5° |
| O10 | C38 | H381 | H383 | 120.0° | 119.4° |
| O10 | C38 | H382 | H383 | 120.0° | 119.4° |
| O11 | C9 | C8 | C7 | 114.1° | 103.5° |
| O11 | C9 | C8 | C33 | 129.0° | 130.8° |
| O11 | C9 | C8 | C10 | 177.6° | 180.0° |
| O11 | C9 | C8 | H8 | 4.6° | 16.2° |
| O11 | C9 | C10 | C34 | 54.9° | 70.2° |
| O11 | C9 | C10 | C11 | 75.7° | 58.6° |
| O11 | C9 | C10 | H10 | 172.3° | 175.3° |
| O3 | C14 | O4 | C18 | 179.7° | 65.2° |
| O3 | C14 | O4 | C15 | 120.3° | 124.1° |
| O3 | C14 | O4 | H14 | 120.8° | 117.0° |
| C14 | O3 | C3 | C2 | 105.3° | 56.0° |
| C14 | O3 | C3 | C4 | 130.7° | 176.7° |
| C14 | O3 | C3 | H3 | 11.4° | 60.0° |
| O3 | C14 | C15 | H14 | 120.8° | 116.7° |
| O3 | C14 | C15 | C16 | 179.4° | 72.4° |
| O3 | C14 | C15 | H151 | 59.4° | 167.6° |
| O3 | C14 | C15 | H152 | 61.4° | 49.6° |
| C3 | O3 | C14 | O4 | 56.6° | 117.2° |
| O3 | C3 | C2 | C1 | 170.4° | 94.8° |
| O3 | C3 | C2 | C4 | 120.9° | 125.2° |
| O3 | C3 | C2 | H3 | 120.0° | 115.2° |
| O3 | C3 | C2 | C30 | 58.8° | 27.1° |
| O3 | C3 | C2 | H2 | 60.3° | 149.2° |
| O3 | C3 | C4 | C5 | 76.0° | 58.8° |
| O3 | C3 | C4 | C31 | 54.9° | 65.8° |
| O3 | C3 | C4 | H3 | 120.2° | 115.9° |
| O3 | C3 | C4 | H4 | 169.5° | 179.1° |
| C3 | O3 | C14 | C15 | 179.6° | 118.2° |
| C3 | O3 | C14 | H14 | 61.4° | 0.0° |
| C20 | O5 | C16 | C15 | 179.5° | 59.9° |
| C20 | O5 | C16 | C17 | 61.0° | 179.9° |
| C20 | O5 | C16 | C19 | 63.1° | 58.8° |
| O5 | C20 | H201 | H202 | 120.0° | 120.5° |
| O5 | C20 | H201 | H203 | 120.0° | 119.3° |
| O5 | C20 | H202 | H203 | 120.0° | 119.3° |
| O5 | C16 | C17 | O6 | 31.2° | 52.3° |
| O5 | C16 | C15 | C14 | 162.5° | 71.2° |
| O5 | C16 | C15 | C17 | 117.5° | 120.5° |
| O5 | C16 | C15 | C19 | 118.7° | 116.1° |
| O5 | C16 | C15 | H151 | 42.5° | 168.9° |
| O5 | C16 | C15 | H152 | 78.3° | 50.6° |
| O5 | C16 | C17 | C19 | 123.6° | 117.6° |
| C16 | O5 | C20 | H201 | 116.6° | 107.6° |
| C16 | O5 | C20 | H202 | 3.4° | 13.2° |
| C16 | O5 | C20 | H203 | 123.4° | 132.8° |
| O5 | C16 | C19 | H191 | 35.6° | 24.9° |
| O5 | C16 | C19 | H192 | 155.5° | 145.0° |
| O5 | C16 | C19 | H193 | 84.5° | 95.0° |
| O5 | C16 | C17 | C18 | 149.6° | 69.6° |
| O5 | C16 | C17 | H17 | 91.6° | 170.3° |
| O6 | C17 | C18 | O4 | 86.7° | 178.5° |
| O6 | C17 | C16 | C15 | 83.9° | 172.4° |
| O6 | C17 | C16 | C18 | 118.4° | 121.9° |
| O6 | C17 | C16 | H17 | 122.8° | 118.0° |
| O6 | C17 | C16 | C19 | 154.8° | 65.3° |
| O6 | C17 | C18 | H17 | 122.9° | 117.2° |
| O6 | C17 | C18 | C21 | 147.7° | 62.4° |
| O6 | C17 | C18 | H18 | 29.6° | 56.9° |
| HO6 | O6 | C17 | C16 | 170.8° | 34.8° |
| HO6 | O6 | C17 | C18 | 64.4° | 88.6° |
| HO6 | O6 | C17 | H17 | 54.7° | 153.4° |
| C18 | O4 | C14 | C15 | 60.0° | 58.9° |
| C18 | O4 | C14 | H14 | 58.9° | 177.9° |
| O4 | C18 | C17 | C16 | 34.5° | 55.6° |
| O4 | C18 | C17 | C21 | 125.6° | 119.1° |
| O4 | C18 | C17 | H18 | 116.3° | 121.6° |
| O4 | C18 | C17 | H17 | 150.4° | 64.3° |
| O4 | C18 | C21 | H18 | 116.9° | 117.6° |
| O4 | C18 | C21 | H211 | 54.1° | 49.5° |
| O4 | C18 | C21 | H212 | 174.1° | 70.4° |
| O4 | C18 | C21 | H213 | 66.0° | 169.6° |
| O4 | C14 | C15 | H14 | 117.9° | 117.9° |
| O4 | C14 | C15 | C16 | 58.1° | 53.0° |
| O4 | C14 | C15 | H151 | 61.9° | 67.0° |
| O4 | C14 | C15 | H152 | 177.3° | 175.1° |
| C14 | O4 | C18 | C17 | 47.3° | 60.2° |
| C14 | O4 | C18 | C21 | 79.6° | 178.0° |
| C14 | O4 | C18 | H18 | 162.0° | 62.1° |
| C28 | N1 | C29 | C24 | 124.8° | 122.4° |
| C28 | N1 | C24 | C23 | 177.5° | 177.9° |
| C28 | N1 | C24 | C25 | 60.7° | 60.0° |
| C28 | N1 | C24 | H24 | 58.5° | 58.7° |
| N1 | C28 | H281 | H282 | 120.0° | 120.9° |
| N1 | C28 | H281 | H283 | 120.0° | 120.9° |
| N1 | C28 | H282 | H283 | 120.0° | 120.9° |
| C28 | N1 | C29 | H291 | 51.0° | 138.4° |
| C28 | N1 | C29 | H292 | 69.0° | 18.4° |
| C28 | N1 | C29 | H293 | 171.0° | 101.6° |
| C29 | N1 | C24 | C23 | 65.2° | 59.6° |
| C29 | N1 | C24 | C25 | 178.1° | 62.5° |
| C29 | N1 | C24 | H24 | 58.8° | 178.7° |
| C29 | N1 | C28 | H281 | 102.3° | 164.6° |
| C29 | N1 | C28 | H282 | 137.7° | 44.5° |
| C29 | N1 | C28 | H283 | 17.7° | 75.5° |
| N1 | C29 | H291 | H292 | 120.0° | 120.8° |
| N1 | C29 | H291 | H293 | 120.0° | 120.9° |
| N1 | C29 | H292 | H293 | 120.0° | 120.9° |
| N1 | C24 | C23 | C22 | 176.3° | 171.6° |
| N1 | C24 | C23 | C25 | 125.4° | 121.6° |
| N1 | C24 | C23 | H24 | 115.1° | 117.9° |
| N1 | C24 | C23 | H23 | 62.5° | 49.6° |
| N1 | C24 | C25 | H24 | 115.0° | 117.4° |
| N1 | C24 | C25 | C26 | 179.0° | 174.4° |
| N1 | C24 | C25 | H251 | 59.0° | 63.5° |
| N1 | C24 | C25 | H252 | 60.7° | 54.4° |
| C24 | N1 | C28 | H281 | 131.1° | 42.1° |
| C24 | N1 | C28 | H282 | 11.0° | 77.9° |
| C24 | N1 | C28 | H283 | 109.0° | 162.1° |
| C24 | N1 | C29 | H291 | 175.8° | 99.2° |
| C24 | N1 | C29 | H292 | 55.7° | 140.9° |
| C24 | N1 | C29 | H293 | 64.2° | 20.8° |
| C40 | N2 | C11 | C39 | 122.8° | 177.9° |
| C40 | N2 | C11 | C10 | 53.7° | 75.7° |
| C40 | N2 | C11 | C12 | 176.9° | 160.4° |
| C40 | N2 | C11 | H11 | 48.3° | 45.3° |
| N2 | C40 | C41 | H401 | 120.0° | 119.0° |
| N2 | C40 | C41 | H402 | 118.5° | 121.2° |
| N2 | C40 | H401 | H402 | 118.6° | 116.0° |
| N2 | C40 | C41 | C42 | 144.0° | 179.0° |
| N2 | C40 | C41 | H411 | 24.0° | 58.7° |
| N2 | C40 | C41 | H412 | 92.3° | 58.2° |
| N2 | C11 | C10 | C9 | 63.9° | 87.7° |
| N2 | C11 | C10 | C34 | 58.1° | 37.8° |
| N2 | C11 | C10 | C12 | 115.8° | 114.5° |
| N2 | C11 | C10 | H11 | 118.9° | 120.6° |
| N2 | C11 | C10 | H10 | 173.6° | 157.2° |
| N2 | C11 | C12 | H11 | 123.2° | 113.4° |
| N2 | C11 | C12 | C13 | 62.6° | 87.0° |
| N2 | C11 | C12 | C35 | 164.7° | 145.3° |
| C11 | N2 | C40 | C41 | 177.5° | 62.3° |
| C11 | N2 | C40 | H401 | 57.5° | 176.9° |
| C11 | N2 | C40 | H402 | 63.9° | 60.8° |
| C39 | N2 | C11 | C10 | 69.1° | 102.3° |
| C39 | N2 | C11 | C12 | 60.4° | 21.7° |
| C39 | N2 | C11 | H11 | 171.0° | 136.8° |
| C39 | N2 | C40 | C41 | 59.7° | 120.0° |
| C39 | N2 | C40 | H401 | 179.7° | 0.8° |
| C39 | N2 | C40 | H402 | 58.9° | 116.9° |
| C51 | N3 | C43 | C44 | 178.3° | 179.9° |
| N3 | C51 | C45 | N4 | 0.3° | 0.0° |
| C51 | N3 | C44 | N4 | 0.4° | 0.1° |
| C51 | N3 | C43 | C42 | 171.1° | 90.0° |
| C51 | N3 | C43 | H431 | 68.9° | 147.6° |
| C51 | N3 | C43 | H432 | 47.3° | 32.4° |
| C51 | N3 | C44 | H44 | 179.6° | 180.0° |
| N3 | C51 | C45 | H51 | 180.0° | 180.0° |
| N3 | C51 | C45 | C46 | 179.0° | 179.9° |
| C43 | N3 | C44 | N4 | 178.1° | 180.0° |
| N3 | C43 | C42 | C41 | 139.8° | 179.5° |
| N3 | C43 | C42 | H431 | 120.0° | 120.5° |
| N3 | C43 | C42 | H432 | 123.8° | 120.5° |
| N3 | C43 | C42 | H421 | 100.2° | 58.0° |
| N3 | C43 | C42 | H422 | 25.9° | 58.7° |
| N3 | C43 | H431 | H432 | 124.7° | 115.6° |
| C43 | N3 | C44 | H44 | 1.9° | 0.1° |
| C43 | N3 | C51 | C45 | 178.5° | 180.0° |
| C43 | N3 | C51 | H51 | 1.5° | 0.0° |
| N3 | C44 | N4 | C45 | 0.6° | 0.1° |
| N3 | C44 | N4 | H44 | 180.0° | 179.9° |
| C44 | N3 | C43 | C42 | 10.6° | 90.1° |
| C44 | N3 | C43 | H431 | 109.4° | 32.3° |
| C44 | N3 | C43 | H432 | 134.4° | 147.5° |
| C44 | N3 | C51 | C45 | 0.0° | 0.0° |
| C44 | N3 | C51 | H51 | 180.0° | 180.0° |
| C45 | N4 | C44 | H44 | 179.4° | 180.0° |
| N4 | C45 | C51 | C46 | 178.7° | 179.9° |
| N4 | C45 | C46 | C47 | 165.5° | 0.1° |
| N4 | C45 | C46 | C50 | 14.5° | 180.0° |
| N4 | C45 | C51 | H51 | 179.7° | 180.0° |
| C44 | N4 | C45 | C51 | 0.6° | 0.1° |
| C44 | N4 | C45 | C46 | 179.3° | 180.0° |
| C49 | N5 | C50 | C46 | 1.0° | 0.0° |
| N5 | C49 | C48 | C47 | 0.6° | 0.1° |
| N5 | C49 | C48 | H49 | 180.0° | 180.0° |
| N5 | C49 | C48 | H48 | 179.3° | 179.9° |
| C49 | N5 | C50 | H50 | 179.0° | 179.9° |
| N5 | C50 | C46 | C45 | 178.8° | 179.9° |
| N5 | C50 | C46 | C47 | 1.2° | 0.0° |
| N5 | C50 | C46 | H50 | 180.0° | 179.9° |
| C50 | N5 | C49 | C48 | 0.7° | 0.1° |
| C50 | N5 | C49 | H49 | 179.2° | 180.0° |
| C1 | C2 | C3 | C30 | 111.5° | 121.8° |
| C1 | C2 | C3 | H2 | 129.4° | 116.0° |
| C1 | C2 | C30 | H2 | 129.6° | 114.7° |
| C1 | C2 | C30 | H301 | 126.5° | 104.7° |
| C1 | C2 | C30 | H302 | 6.5° | 135.4° |
| C1 | C2 | C30 | H303 | 113.4° | 15.3° |
| C1 | C2 | C3 | C4 | 68.7° | 140.0° |
| C1 | C2 | C3 | H3 | 50.3° | 20.4° |
| C3 | C2 | C30 | H2 | 120.4° | 123.7° |
| C3 | C2 | C30 | H301 | 16.5° | 133.6° |
| C3 | C2 | C30 | H302 | 103.6° | 13.7° |
| C3 | C2 | C30 | H303 | 136.5° | 106.3° |
| C2 | C3 | C4 | C5 | 160.8° | 176.7° |
| C2 | C3 | C4 | C31 | 68.3° | 58.8° |
| C2 | C3 | C4 | H3 | 116.7° | 119.6° |
| C2 | C3 | C4 | H4 | 46.3° | 56.3° |
| C2 | C30 | H301 | H302 | 120.0° | 121.3° |
| C2 | C30 | H301 | H303 | 120.0° | 121.4° |
| C2 | C30 | H302 | H303 | 120.0° | 121.4° |
| C30 | C2 | C3 | C4 | 179.7° | 98.2° |
| C30 | C2 | C3 | H3 | 61.2° | 142.3° |
| H2 | C2 | C30 | H301 | 103.9° | 10.0° |
| H2 | C2 | C30 | H302 | 136.1° | 109.9° |
| H2 | C2 | C30 | H303 | 16.1° | 130.0° |
| H2 | C2 | C3 | C4 | 60.7° | 24.0° |
| H2 | C2 | C3 | H3 | 179.7° | 95.6° |
| H301 | C30 | H302 | H303 | 120.0° | 117.3° |
| C5 | C4 | C31 | C3 | 126.2° | 126.9° |
| C5 | C4 | C31 | H4 | 113.2° | 116.0° |
| C5 | C4 | C3 | H4 | 114.5° | 120.3° |
| C5 | C4 | C31 | H311 | 7.7° | 68.7° |
| C5 | C4 | C31 | H312 | 112.4° | 51.3° |
| C5 | C4 | C31 | H313 | 127.6° | 171.4° |
| C4 | C5 | C6 | H5 | 118.1° | 122.8° |
| C4 | C5 | C6 | C32 | 178.9° | 178.1° |
| C4 | C5 | C6 | C7 | 54.3° | 55.2° |
| C5 | C4 | C3 | H3 | 44.2° | 57.1° |
| C31 | C4 | C3 | H4 | 114.6° | 115.1° |
| C4 | C31 | H311 | H312 | 120.0° | 121.3° |
| C4 | C31 | H311 | H313 | 120.0° | 121.3° |
| C4 | C31 | H312 | H313 | 120.0° | 121.4° |
| C31 | C4 | C5 | C6 | 115.6° | 174.4° |
| C31 | C4 | C5 | H5 | 125.2° | 62.6° |
| C31 | C4 | C3 | H3 | 175.1° | 178.3° |
| C3 | C4 | C31 | H311 | 133.9° | 164.4° |
| C3 | C4 | C31 | H312 | 13.9° | 75.6° |
| C3 | C4 | C31 | H313 | 106.1° | 44.5° |
| C3 | C4 | C5 | C6 | 118.2° | 60.2° |
| C3 | C4 | C5 | H5 | 1.0° | 62.8° |
| H4 | C4 | C31 | H311 | 105.5° | 47.4° |
| H4 | C4 | C31 | H312 | 134.5° | 167.3° |
| H4 | C4 | C31 | H313 | 14.5° | 72.6° |
| H4 | C4 | C5 | C6 | 2.4° | 60.2° |
| H4 | C4 | C5 | H5 | 121.5° | 176.7° |
| H4 | C4 | C3 | H3 | 70.4° | 63.2° |
| H311 | C31 | H312 | H313 | 120.0° | 117.3° |
| C5 | C6 | C32 | C7 | 120.9° | 123.2° |
| C5 | C6 | C32 | H321 | 121.2° | 59.1° |
| C5 | C6 | C32 | H322 | 1.2° | 60.9° |
| C5 | C6 | C32 | H323 | 118.8° | 179.2° |
| C5 | C6 | C7 | C8 | 178.0° | 175.5° |
| C5 | C6 | C7 | H71 | 57.9° | 62.5° |
| C5 | C6 | C7 | H72 | 71.3° | 53.4° |
| H5 | C5 | C6 | C32 | 63.1° | 59.1° |
| H5 | C5 | C6 | C7 | 172.4° | 178.0° |
| C22 | C23 | C24 | H23 | 121.2° | 122.0° |
| C22 | C23 | C24 | C25 | 58.3° | 50.0° |
| C22 | C23 | C24 | H24 | 61.2° | 70.5° |
| H22 | C22 | C23 | C24 | 57.4° | 69.0° |
| H22 | C22 | C23 | H23 | 175.9° | 168.5° |
| C23 | C24 | C25 | H24 | 124.2° | 120.4° |
| C23 | C24 | C25 | C26 | 60.1° | 52.1° |
| C23 | C24 | C25 | H251 | 179.9° | 174.2° |
| C23 | C24 | C25 | H252 | 60.2° | 67.9° |
| H23 | C23 | C24 | C25 | 62.9° | 72.0° |
| H23 | C23 | C24 | H24 | 177.6° | 167.5° |
| C24 | C25 | C26 | H251 | 120.0° | 122.2° |
| C24 | C25 | C26 | H252 | 120.3° | 120.1° |
| C24 | C25 | H251 | H252 | 120.3° | 119.1° |
| C24 | C25 | C26 | C27 | 179.0° | 176.9° |
| C24 | C25 | C26 | H26 | 60.6° | 62.6° |
| H24 | C24 | C25 | C26 | 64.1° | 68.2° |
| H24 | C24 | C25 | H251 | 56.0° | 53.9° |
| H24 | C24 | C25 | H252 | 175.6° | 171.8° |
| C26 | C25 | H251 | H252 | 120.3° | 118.8° |
| C25 | C26 | C27 | H26 | 117.2° | 121.9° |
| C25 | C26 | C27 | H271 | 177.1° | 72.8° |
| C25 | C26 | C27 | H272 | 62.9° | 47.2° |
| C25 | C26 | C27 | H273 | 57.1° | 167.2° |
| H251 | C25 | C26 | C27 | 61.0° | 60.9° |
| H251 | C25 | C26 | H26 | 59.4° | 59.6° |
| H252 | C25 | C26 | C27 | 58.7° | 56.8° |
| H252 | C25 | C26 | H26 | 179.1° | 177.4° |
| C26 | C27 | H271 | H272 | 120.0° | 121.3° |
| C26 | C27 | H271 | H273 | 120.0° | 121.4° |
| C26 | C27 | H272 | H273 | 120.0° | 121.3° |
| H26 | C26 | C27 | H271 | 65.8° | 49.2° |
| H26 | C26 | C27 | H272 | 54.3° | 169.2° |
| H26 | C26 | C27 | H273 | 174.3° | 70.9° |
| H271 | C27 | H272 | H273 | 120.0° | 117.4° |
| H281 | C28 | H282 | H283 | 120.0° | 118.2° |
| H291 | C29 | H292 | H293 | 119.9° | 118.3° |
| C6 | C32 | H321 | H322 | 120.0° | 121.3° |
| C6 | C32 | H321 | H323 | 120.0° | 121.3° |
| C6 | C32 | H322 | H323 | 120.0° | 121.3° |
| C32 | C6 | C7 | C8 | 58.2° | 54.0° |
| C32 | C6 | C7 | H71 | 178.2° | 176.0° |
| C32 | C6 | C7 | H72 | 52.6° | 68.1° |
| C7 | C6 | C32 | H321 | 117.9° | 177.7° |
| C7 | C6 | C32 | H322 | 122.1° | 62.3° |
| C7 | C6 | C32 | H323 | 2.1° | 57.6° |
| C6 | C7 | C8 | H71 | 120.0° | 122.6° |
| C6 | C7 | C8 | H72 | 110.7° | 122.1° |
| C6 | C7 | H71 | H72 | 112.8° | 116.8° |
| C6 | C7 | C8 | C33 | 162.6° | 155.1° |
| C6 | C7 | C8 | C9 | 79.9° | 78.8° |
| C6 | C7 | C8 | H8 | 38.2° | 39.2° |
| H321 | C32 | H322 | H323 | 120.0° | 117.4° |
| C8 | C7 | H71 | H72 | 112.9° | 116.2° |
| C7 | C8 | C33 | C9 | 123.5° | 126.3° |
| C7 | C8 | C33 | H8 | 118.6° | 118.4° |
| C7 | C8 | C9 | H8 | 118.7° | 119.7° |
| C7 | C8 | C33 | H331 | 108.4° | 112.1° |
| C7 | C8 | C33 | H332 | 11.6° | 7.9° |
| C7 | C8 | C33 | H333 | 131.6° | 127.9° |
| C7 | C8 | C9 | C10 | 63.5° | 76.5° |
| H71 | C7 | C8 | C33 | 77.4° | 82.3° |
| H71 | C7 | C8 | C9 | 40.1° | 43.8° |
| H71 | C7 | C8 | H8 | 158.2° | 161.8° |
| H72 | C7 | C8 | C33 | 51.8° | 33.0° |
| H72 | C7 | C8 | C9 | 169.3° | 159.1° |
| H72 | C7 | C8 | H8 | 72.6° | 82.9° |
| C33 | C8 | C9 | H8 | 124.4° | 114.6° |
| C8 | C33 | H331 | H332 | 120.0° | 121.3° |
| C8 | C33 | H331 | H333 | 120.0° | 121.3° |
| C8 | C33 | H332 | H333 | 120.0° | 121.3° |
| C33 | C8 | C9 | C10 | 53.4° | 49.2° |
| C9 | C8 | C33 | H331 | 128.1° | 121.5° |
| C9 | C8 | C33 | H332 | 111.8° | 118.4° |
| C9 | C8 | C33 | H333 | 8.2° | 1.5° |
| C8 | C9 | C10 | C34 | 127.6° | 109.7° |
| C8 | C9 | C10 | C11 | 101.8° | 121.4° |
| C8 | C9 | C10 | H10 | 10.2° | 4.8° |
| H8 | C8 | C33 | H331 | 10.2° | 6.2° |
| H8 | C8 | C33 | H332 | 130.2° | 126.3° |
| H8 | C8 | C33 | H333 | 109.8° | 113.8° |
| H8 | C8 | C9 | C10 | 177.8° | 163.7° |
| H331 | C33 | H332 | H333 | 120.0° | 117.3° |
| C9 | C10 | C34 | C11 | 125.7° | 127.3° |
| C9 | C10 | C34 | H10 | 123.3° | 113.1° |
| C9 | C10 | C11 | H10 | 122.5° | 115.2° |
| C9 | C10 | C11 | C12 | 179.7° | 157.9° |
| C9 | C10 | C11 | H11 | 54.9° | 32.9° |
| C9 | C10 | C34 | H341 | 146.2° | 33.3° |
| C9 | C10 | C34 | H342 | 26.1° | 153.3° |
| C9 | C10 | C34 | H343 | 93.9° | 86.7° |
| C34 | C10 | C11 | H10 | 115.5° | 119.4° |
| C34 | C10 | C11 | C12 | 57.6° | 76.7° |
| C34 | C10 | C11 | H11 | 177.0° | 158.4° |
| C10 | C34 | H341 | H342 | 120.0° | 121.3° |
| C10 | C34 | H341 | H343 | 120.0° | 121.3° |
| C10 | C34 | H342 | H343 | 120.0° | 121.3° |
| C10 | C11 | C12 | H11 | 102.7° | 124.1° |
| C10 | C11 | C12 | C13 | 163.4° | 150.5° |
| C10 | C11 | C12 | C35 | 30.6° | 22.8° |
| C11 | C10 | C34 | H341 | 20.5° | 160.6° |
| C11 | C10 | C34 | H342 | 99.6° | 79.4° |
| C11 | C10 | C34 | H343 | 140.4° | 40.6° |
| H10 | C10 | C11 | C12 | 57.8° | 42.7° |
| H10 | C10 | C11 | H11 | 67.5° | 82.3° |
| H10 | C10 | C34 | H341 | 90.5° | 79.8° |
| H10 | C10 | C34 | H342 | 149.4° | 40.2° |
| H10 | C10 | C34 | H343 | 29.4° | 160.2° |
| C11 | C12 | C13 | C35 | 134.7° | 130.1° |
| C11 | C12 | C13 | C36 | 168.4° | 170.6° |
| C11 | C12 | C13 | H13 | 52.7° | 51.1° |
| C11 | C12 | C35 | H351 | 7.1° | 14.6° |
| C11 | C12 | C35 | H352 | 127.1° | 105.4° |
| C11 | C12 | C35 | H353 | 112.9° | 134.6° |
| H11 | C11 | C12 | C13 | 60.7° | 26.4° |
| H11 | C11 | C12 | C35 | 72.1° | 101.3° |
| C12 | C13 | C36 | H13 | 111.4° | 120.7° |
| C13 | C12 | C35 | H351 | 122.7° | 141.8° |
| C13 | C12 | C35 | H352 | 2.7° | 21.8° |
| C13 | C12 | C35 | H353 | 117.3° | 98.2° |
| C12 | C13 | C36 | C37 | 146.5° | 178.6° |
| C12 | C13 | C36 | H361 | 26.5° | 60.0° |
| C12 | C13 | C36 | H362 | 97.0° | 57.2° |
| C36 | C13 | C12 | C35 | 56.9° | 59.2° |
| C13 | C36 | C37 | H361 | 120.0° | 119.5° |
| C13 | C36 | C37 | H362 | 116.5° | 119.4° |
| C13 | C36 | H361 | H362 | 116.9° | 116.3° |
| C13 | C36 | C37 | H371 | 33.8° | 60.3° |
| C13 | C36 | C37 | H372 | 86.2° | 60.3° |
| C13 | C36 | C37 | H373 | 153.8° | 179.9° |
| H13 | C13 | C12 | C35 | 172.6° | 178.8° |
| H13 | C13 | C36 | C37 | 35.1° | 57.9° |
| H13 | C13 | C36 | H361 | 84.9° | 179.3° |
| H13 | C13 | C36 | H362 | 151.5° | 63.5° |
| C12 | C35 | H351 | H352 | 120.0° | 121.3° |
| C12 | C35 | H351 | H353 | 120.0° | 121.3° |
| C12 | C35 | H352 | H353 | 120.0° | 121.3° |
| H351 | C35 | H352 | H353 | 120.0° | 117.3° |
| H381 | C38 | H382 | H383 | 120.0° | 120.2° |
| C41 | C40 | H401 | H402 | 118.6° | 121.8° |
| C40 | C41 | C42 | H411 | 120.0° | 122.4° |
| C40 | C41 | C42 | H412 | 123.8° | 120.6° |
| C40 | C41 | H411 | H412 | 124.5° | 117.7° |
| C40 | C41 | C42 | C43 | 41.3° | 177.6° |
| C40 | C41 | C42 | H421 | 78.7° | 56.1° |
| C40 | C41 | C42 | H422 | 155.1° | 60.9° |
| H401 | C40 | C41 | C42 | 96.0° | 60.1° |
| H401 | C40 | C41 | H411 | 144.0° | 177.7° |
| H401 | C40 | C41 | H412 | 27.7° | 60.8° |
| H402 | C40 | C41 | C42 | 25.5° | 59.8° |
| H402 | C40 | C41 | H411 | 94.6° | 62.5° |
| H402 | C40 | C41 | H412 | 149.2° | 179.3° |
| C42 | C41 | H411 | H412 | 124.5° | 118.2° |
| C41 | C42 | C43 | H421 | 120.0° | 121.5° |
| C41 | C42 | C43 | H422 | 113.9° | 121.8° |
| C41 | C42 | H421 | H422 | 115.0° | 119.1° |
| C41 | C42 | C43 | H431 | 19.8° | 60.0° |
| C41 | C42 | C43 | H432 | 96.4° | 59.0° |
| H411 | C41 | C42 | C43 | 78.7° | 60.0° |
| H411 | C41 | C42 | H421 | 161.3° | 178.4° |
| H411 | C41 | C42 | H422 | 35.2° | 61.5° |
| H412 | C41 | C42 | C43 | 165.0° | 57.0° |
| H412 | C41 | C42 | H421 | 45.0° | 64.5° |
| H412 | C41 | C42 | H422 | 81.1° | 178.5° |
| C43 | C42 | H421 | H422 | 115.0° | 118.5° |
| C42 | C43 | H431 | H432 | 124.6° | 121.3° |
| H421 | C42 | C43 | H431 | 139.8° | 178.5° |
| H421 | C42 | C43 | H432 | 23.6° | 62.5° |
| H422 | C42 | C43 | H431 | 94.1° | 61.9° |
| H422 | C42 | C43 | H432 | 149.7° | 179.1° |
| C51 | C45 | C46 | C47 | 13.0° | 180.0° |
| C51 | C45 | C46 | C50 | 167.1° | 0.1° |
| C45 | C46 | C47 | C50 | 180.0° | 179.9° |
| C45 | C46 | C47 | C48 | 178.9° | 179.9° |
| C45 | C46 | C47 | H47 | 1.1° | 0.2° |
| C45 | C46 | C50 | H50 | 1.2° | 0.0° |
| C46 | C45 | C51 | H51 | 1.0° | 0.1° |
| C46 | C47 | C48 | H47 | 180.0° | 179.8° |
| C46 | C47 | C48 | C49 | 0.8° | 0.0° |
| C46 | C47 | C48 | H48 | 179.1° | 179.9° |
| C47 | C46 | C50 | H50 | 178.9° | 179.9° |
| C50 | C46 | C47 | C48 | 1.1° | 0.0° |
| C50 | C46 | C47 | H47 | 178.9° | 179.9° |
| C47 | C48 | C49 | H48 | 180.0° | 180.0° |
| C47 | C48 | C49 | H49 | 179.4° | 180.0° |
| H47 | C47 | C48 | C49 | 179.2° | 179.9° |
| H47 | C47 | C48 | H48 | 0.8° | 0.1° |
| H48 | C48 | C49 | H49 | 0.7° | 0.1° |
| H341 | C34 | H342 | H343 | 120.0° | 117.4° |
| C37 | C36 | H361 | H362 | 116.9° | 122.4° |
| C36 | C37 | H371 | H372 | 120.0° | 122.9° |
| C36 | C37 | H371 | H373 | 120.0° | 120.2° |
| C36 | C37 | H372 | H373 | 120.0° | 120.3° |
| H361 | C36 | C37 | H371 | 153.8° | 59.1° |
| H361 | C36 | C37 | H372 | 33.8° | 179.8° |
| H361 | C36 | C37 | H373 | 86.2° | 60.5° |
| H362 | C36 | C37 | H371 | 82.7° | 179.7° |
| H362 | C36 | C37 | H372 | 157.3° | 59.1° |
| H362 | C36 | C37 | H373 | 37.3° | 60.7° |
| H371 | C37 | H372 | H373 | 120.0° | 116.8° |
| C14 | C15 | C16 | H151 | 120.0° | 119.8° |
| C14 | C15 | C16 | H152 | 119.2° | 121.8° |
| C14 | C15 | H151 | H152 | 119.2° | 118.5° |
| C14 | C15 | C16 | C17 | 45.0° | 49.3° |
| C14 | C15 | C16 | C19 | 78.8° | 172.6° |
| H14 | C14 | C15 | C16 | 59.8° | 170.9° |
| H14 | C14 | C15 | H151 | 179.8° | 50.8° |
| H14 | C14 | C15 | H152 | 59.4° | 67.1° |
| C16 | C15 | H151 | H152 | 119.2° | 119.2° |
| C15 | C16 | C17 | C19 | 121.4° | 122.3° |
| C15 | C16 | C19 | H191 | 149.9° | 143.1° |
| C15 | C16 | C19 | H192 | 90.1° | 96.8° |
| C15 | C16 | C19 | H193 | 29.9° | 23.2° |
| C15 | C16 | C17 | C18 | 34.6° | 50.5° |
| C15 | C16 | C17 | H17 | 153.4° | 69.6° |
| H151 | C15 | C16 | C17 | 75.0° | 70.6° |
| H151 | C15 | C16 | C19 | 161.2° | 52.8° |
| H152 | C15 | C16 | C17 | 164.2° | 171.1° |
| H152 | C15 | C16 | C19 | 40.5° | 65.6° |
| C17 | C16 | C19 | H191 | 86.6° | 95.0° |
| C17 | C16 | C19 | H192 | 33.4° | 25.1° |
| C17 | C16 | C19 | H193 | 153.4° | 145.1° |
| C16 | C17 | C18 | H17 | 115.9° | 119.9° |
| C16 | C17 | C18 | C21 | 91.1° | 174.7° |
| C16 | C17 | C18 | H18 | 150.7° | 66.0° |
| C16 | C19 | H191 | H192 | 120.0° | 121.3° |
| C16 | C19 | H191 | H193 | 120.0° | 121.3° |
| C16 | C19 | H192 | H193 | 120.0° | 121.3° |
| C19 | C16 | C17 | C18 | 86.8° | 172.8° |
| C19 | C16 | C17 | H17 | 32.0° | 52.7° |
| H201 | C20 | H202 | H203 | 120.0° | 120.2° |
| H191 | C19 | H192 | H193 | 120.0° | 117.4° |
| C17 | C18 | C21 | H18 | 115.0° | 121.4° |
| C17 | C18 | C21 | H211 | 74.1° | 170.6° |
| C17 | C18 | C21 | H212 | 45.9° | 50.6° |
| C17 | C18 | C21 | H213 | 165.9° | 69.4° |
| H17 | C17 | C18 | C21 | 24.8° | 54.8° |
| H17 | C17 | C18 | H18 | 93.3° | 174.1° |
| C18 | C21 | H211 | H212 | 120.0° | 121.3° |
| C18 | C21 | H211 | H213 | 120.0° | 121.4° |
| C18 | C21 | H212 | H213 | 120.0° | 121.4° |
| H18 | C18 | C21 | H211 | 171.0° | 68.0° |
| H18 | C18 | C21 | H212 | 69.0° | 172.0° |
| H18 | C18 | C21 | H213 | 51.0° | 52.0° |
| H211 | C21 | H212 | H213 | 120.0° | 117.3° |
