ROX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C11 | sing | 1.52Å | 1.55Å | |
C10 | C9 | sing | 1.51Å | 1.50Å | |
C10 | C34 | sing | 1.52Å | 1.55Å | |
C10 | H10 | sing | 1.10Å | 1.12Å | |
C11 | C12 | sing | 1.51Å | 1.54Å | |
C11 | O11 | sing | 1.43Å | 1.43Å | |
C11 | H11 | sing | 1.12Å | 1.12Å | |
C12 | C13 | sing | 1.54Å | 1.58Å | |
C12 | C35 | sing | 1.54Å | 1.58Å | |
C12 | O12 | sing | 1.43Å | 1.41Å | |
C13 | O2 | sing | 1.42Å | 1.40Å | |
C13 | C36 | sing | 1.52Å | 1.54Å | |
C13 | H13 | sing | 1.11Å | 1.11Å | |
O2 | C1 | sing | 1.32Å | 1.35Å | |
C2 | C3 | sing | 1.51Å | 1.59Å | |
C2 | C1 | sing | 1.51Å | 1.56Å | |
C2 | C30 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.12Å | 1.11Å | |
C3 | C4 | sing | 1.52Å | 1.49Å | |
C3 | O3 | sing | 1.44Å | 1.44Å | |
C3 | H3 | sing | 1.12Å | 1.11Å | |
C4 | C5 | sing | 1.52Å | 1.56Å | |
C4 | C31 | sing | 1.52Å | 1.57Å | |
C4 | H4 | sing | 1.12Å | 1.12Å | |
C5 | C6 | sing | 1.52Å | 1.55Å | |
C5 | O7 | sing | 1.42Å | 1.44Å | |
C5 | H5 | sing | 1.11Å | 1.11Å | |
C6 | C7 | sing | 1.52Å | 1.60Å | |
C6 | C32 | sing | 1.55Å | 1.56Å | |
C6 | O10 | sing | 1.43Å | 1.47Å | |
C7 | C8 | sing | 1.53Å | 1.60Å | |
C7 | H71 | sing | 1.10Å | 1.12Å | |
C7 | H72 | sing | 1.08Å | 1.11Å | |
C8 | C9 | sing | 1.51Å | 1.53Å | |
C8 | C33 | sing | 1.53Å | 1.61Å | |
C8 | H8 | sing | 1.08Å | 1.12Å | |
C9 | N2 | doub | 1.28Å | 1.28Å | |
N2 | O13 | sing | 1.42Å | 1.38Å | |
C1 | O1 | doub | 1.21Å | 1.23Å | |
O3 | C14 | sing | 1.43Å | 1.42Å | |
O7 | C22 | sing | 1.43Å | 1.44Å | |
C34 | H341 | sing | 1.09Å | 1.11Å | |
C34 | H342 | sing | 1.09Å | 1.11Å | |
C34 | H343 | sing | 1.09Å | 1.11Å | |
C33 | H331 | sing | 1.09Å | 1.11Å | |
C33 | H332 | sing | 1.09Å | 1.12Å | |
C33 | H333 | sing | 1.09Å | 1.12Å | |
C35 | H351 | sing | 1.09Å | 1.12Å | |
C35 | H352 | sing | 1.09Å | 1.12Å | |
C35 | H353 | sing | 1.09Å | 1.12Å | |
O11 | HO11 | sing | 0.97Å | 0.95Å | |
O12 | HO12 | sing | 0.97Å | 0.95Å | |
C36 | C37 | sing | 1.53Å | 1.46Å | |
C36 | H361 | sing | 1.09Å | 1.11Å | |
C36 | H362 | sing | 1.09Å | 1.12Å | |
C30 | H301 | sing | 1.09Å | 1.12Å | |
C30 | H302 | sing | 1.09Å | 1.12Å | |
C30 | H303 | sing | 1.09Å | 1.12Å | |
C32 | H321 | sing | 1.09Å | 1.12Å | |
C32 | H322 | sing | 1.09Å | 1.12Å | |
C32 | H323 | sing | 1.09Å | 1.11Å | |
O10 | HO10 | sing | 0.97Å | 0.95Å | |
C22 | C23 | sing | 1.53Å | 1.51Å | |
C22 | O9 | sing | 1.43Å | 1.39Å | |
C22 | H22 | sing | 1.09Å | 1.11Å | |
C23 | C24 | sing | 1.53Å | 1.56Å | |
C23 | O8 | sing | 1.43Å | 1.43Å | |
C23 | H23 | sing | 1.09Å | 1.12Å | |
C24 | C25 | sing | 1.53Å | 1.52Å | |
C24 | N1 | sing | 1.47Å | 1.47Å | |
C24 | H24 | sing | 1.09Å | 1.11Å | |
C25 | C26 | sing | 1.53Å | 1.52Å | |
C25 | H251 | sing | 1.09Å | 1.12Å | |
C25 | H252 | sing | 1.09Å | 1.12Å | |
C26 | O9 | sing | 1.43Å | 1.47Å | |
C26 | C27 | sing | 1.53Å | 1.57Å | |
C26 | H26 | sing | 1.09Å | 1.11Å | |
N1 | C28 | sing | 1.47Å | 1.47Å | |
N1 | C29 | sing | 1.47Å | 1.49Å | |
C27 | H271 | sing | 1.09Å | 1.11Å | |
C27 | H272 | sing | 1.09Å | 1.12Å | |
C27 | H273 | sing | 1.09Å | 1.12Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
C28 | H281 | sing | 1.09Å | 1.12Å | |
C28 | H282 | sing | 1.09Å | 1.11Å | |
C28 | H283 | sing | 1.09Å | 1.11Å | |
C14 | C15 | sing | 1.53Å | 1.58Å | |
C14 | O4 | sing | 1.42Å | 1.40Å | |
C14 | H14 | sing | 1.09Å | 1.11Å | |
C15 | C16 | sing | 1.53Å | 1.57Å | |
C15 | H151 | sing | 1.09Å | 1.12Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C16 | O5 | sing | 1.44Å | 1.42Å | |
C16 | C19 | sing | 1.53Å | 1.47Å | |
C17 | C18 | sing | 1.52Å | 1.53Å | |
C17 | O6 | sing | 1.44Å | 1.40Å | |
C17 | H17 | sing | 1.10Å | 1.11Å | |
C18 | O4 | sing | 1.42Å | 1.43Å | |
C18 | C21 | sing | 1.53Å | 1.54Å | |
C18 | H18 | sing | 1.11Å | 1.12Å | |
O5 | C20 | sing | 1.43Å | 1.43Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C20 | H201 | sing | 1.09Å | 1.11Å | |
C20 | H202 | sing | 1.09Å | 1.11Å | |
C20 | H203 | sing | 1.09Å | 1.11Å | |
C29 | H291 | sing | 1.09Å | 1.12Å | |
C29 | H292 | sing | 1.09Å | 1.12Å | |
C29 | H293 | sing | 1.09Å | 1.11Å | |
C21 | H211 | sing | 1.09Å | 1.12Å | |
C21 | H212 | sing | 1.09Å | 1.11Å | |
C21 | H213 | sing | 1.09Å | 1.11Å | |
C37 | H371 | sing | 1.09Å | 1.11Å | |
C37 | H372 | sing | 1.09Å | 1.12Å | |
C37 | H373 | sing | 1.09Å | 1.11Å | |
C31 | H311 | sing | 1.09Å | 1.12Å | |
C31 | H312 | sing | 1.09Å | 1.11Å | |
C31 | H313 | sing | 1.09Å | 1.12Å | |
C19 | H191 | sing | 1.09Å | 1.11Å | |
C19 | H192 | sing | 1.09Å | 1.11Å | |
C19 | H193 | sing | 1.09Å | 1.11Å | |
C38 | O13 | sing | 1.43Å | 1.42Å | |
C38 | O14 | sing | 1.43Å | 1.40Å | |
C38 | H381 | sing | 1.09Å | 1.11Å | |
C38 | H382 | sing | 1.09Å | 1.12Å | |
C39 | C40 | sing | 1.53Å | 1.52Å | |
C39 | O14 | sing | 1.43Å | 1.39Å | |
C39 | H391 | sing | 1.09Å | 1.12Å | |
C39 | H392 | sing | 1.09Å | 1.11Å | |
C40 | O15 | sing | 1.43Å | 1.41Å | |
C40 | H401 | sing | 1.09Å | 1.12Å | |
C40 | H402 | sing | 1.09Å | 1.11Å | |
C41 | O15 | sing | 1.43Å | 1.39Å | |
C41 | H411 | sing | 1.09Å | 1.11Å | |
C41 | H412 | sing | 1.09Å | 1.12Å | |
C41 | H413 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | C10 | C9 | 114.8° | 108.6° |
C11 | C10 | C34 | 117.6° | 115.3° |
C11 | C10 | H10 | 97.3° | 108.4° |
C10 | C11 | C12 | 120.0° | 117.7° |
C10 | C11 | O11 | 114.4° | 109.4° |
C10 | C11 | H11 | 95.8° | 105.1° |
C9 | C10 | C34 | 101.0° | 109.0° |
C9 | C10 | H10 | 115.0° | 107.2° |
C10 | C9 | C8 | 119.8° | 122.0° |
C10 | C9 | N2 | 120.8° | 118.9° |
C34 | C10 | H10 | 111.9° | 108.0° |
C10 | C34 | H341 | 117.6° | 109.5° |
C10 | C34 | H342 | 109.2° | 109.5° |
C10 | C34 | H343 | 109.3° | 109.5° |
C12 | C11 | O11 | 102.6° | 110.9° |
C12 | C11 | H11 | 109.2° | 107.2° |
C11 | C12 | C13 | 108.8° | 110.1° |
C11 | C12 | C35 | 106.5° | 109.6° |
C11 | C12 | O12 | 111.9° | 114.2° |
O11 | C11 | H11 | 115.4° | 105.7° |
C11 | O11 | HO11 | 114.4° | 114.0° |
C13 | C12 | C35 | 105.4° | 107.8° |
C13 | C12 | O12 | 111.6° | 106.0° |
C12 | C13 | O2 | 106.2° | 110.5° |
C12 | C13 | C36 | 113.0° | 110.8° |
C12 | C13 | H13 | 110.2° | 105.5° |
C35 | C12 | O12 | 112.3° | 108.8° |
C12 | C35 | H351 | 106.6° | 109.4° |
C12 | C35 | H352 | 113.3° | 109.5° |
C12 | C35 | H353 | 113.3° | 109.5° |
C12 | O12 | HO12 | 111.8° | 114.0° |
O2 | C13 | C36 | 111.9° | 115.5° |
O2 | C13 | H13 | 111.3° | 107.8° |
C13 | O2 | C1 | 115.5° | 130.1° |
C36 | C13 | H13 | 104.4° | 106.1° |
C13 | C36 | C37 | 114.1° | 109.5° |
C13 | C36 | H361 | 110.5° | 109.5° |
C13 | C36 | H362 | 110.5° | 109.4° |
O2 | C1 | C2 | 105.4° | 119.4° |
O2 | C1 | O1 | 124.5° | 123.2° |
C3 | C2 | C1 | 115.1° | 115.4° |
C3 | C2 | C30 | 107.3° | 112.2° |
C3 | C2 | H2 | 108.7° | 106.7° |
C2 | C3 | C4 | 116.0° | 118.6° |
C2 | C3 | O3 | 109.3° | 109.1° |
C2 | C3 | H3 | 108.1° | 107.6° |
C1 | C2 | C30 | 113.7° | 110.9° |
C1 | C2 | H2 | 101.6° | 105.1° |
C2 | C1 | O1 | 130.1° | 117.4° |
C30 | C2 | H2 | 110.3° | 105.8° |
C2 | C30 | H301 | 107.3° | 109.4° |
C2 | C30 | H302 | 113.0° | 109.5° |
C2 | C30 | H303 | 113.0° | 109.4° |
C4 | C3 | O3 | 116.9° | 109.5° |
C4 | C3 | H3 | 98.4° | 106.4° |
C3 | C4 | C5 | 111.9° | 111.1° |
C3 | C4 | C31 | 119.3° | 113.3° |
C3 | C4 | H4 | 102.0° | 106.3° |
O3 | C3 | H3 | 106.9° | 104.8° |
C3 | O3 | C14 | 122.0° | 114.0° |
C5 | C4 | C31 | 114.8° | 113.1° |
C5 | C4 | H4 | 108.3° | 106.1° |
C4 | C5 | C6 | 123.2° | 114.1° |
C4 | C5 | O7 | 106.0° | 111.7° |
C4 | C5 | H5 | 100.8° | 107.1° |
C31 | C4 | H4 | 97.9° | 106.4° |
C4 | C31 | H311 | 119.3° | 109.5° |
C4 | C31 | H312 | 108.7° | 109.4° |
C4 | C31 | H313 | 108.7° | 109.5° |
C6 | C5 | O7 | 103.2° | 111.5° |
C6 | C5 | H5 | 103.7° | 106.2° |
C5 | C6 | C7 | 103.8° | 112.4° |
C5 | C6 | C32 | 116.7° | 107.3° |
C5 | C6 | O10 | 107.6° | 111.6° |
O7 | C5 | H5 | 121.6° | 105.7° |
C5 | O7 | C22 | 114.9° | 114.0° |
C7 | C6 | C32 | 107.1° | 107.3° |
C7 | C6 | O10 | 104.1° | 111.0° |
C6 | C7 | C8 | 118.8° | 112.5° |
C6 | C7 | H71 | 108.8° | 108.2° |
C6 | C7 | H72 | 108.8° | 112.3° |
C32 | C6 | O10 | 116.1° | 106.9° |
C6 | C32 | H321 | 116.7° | 109.4° |
C6 | C32 | H322 | 109.6° | 109.5° |
C6 | C32 | H323 | 109.7° | 109.5° |
C6 | O10 | HO10 | 107.6° | 114.0° |
C8 | C7 | H71 | 108.9° | 107.4° |
C8 | C7 | H72 | 108.9° | 109.5° |
C7 | C8 | C9 | 108.6° | 109.7° |
C7 | C8 | C33 | 122.8° | 109.2° |
C7 | C8 | H8 | 101.1° | 109.5° |
H71 | C7 | H72 | 101.2° | 106.6° |
C9 | C8 | C33 | 112.3° | 108.6° |
C9 | C8 | H8 | 114.8° | 110.9° |
C8 | C9 | N2 | 119.3° | 119.1° |
C33 | C8 | H8 | 96.3° | 108.9° |
C8 | C33 | H331 | 122.8° | 109.4° |
C8 | C33 | H332 | 107.5° | 109.5° |
C8 | C33 | H333 | 107.5° | 109.5° |
C9 | N2 | O13 | 128.1° | 120.0° |
N2 | O13 | C38 | 112.0° | 114.0° |
O3 | C14 | C15 | 111.5° | 109.0° |
O3 | C14 | O4 | 105.6° | 109.2° |
O3 | C14 | H14 | 109.7° | 108.7° |
O7 | C22 | C23 | 112.5° | 109.5° |
O7 | C22 | O9 | 100.4° | 109.5° |
O7 | C22 | H22 | 114.6° | 109.5° |
H341 | C34 | H342 | 109.3° | 109.5° |
H341 | C34 | H343 | 109.3° | 109.5° |
H342 | C34 | H343 | 100.9° | 109.4° |
H331 | C33 | H332 | 107.4° | 109.4° |
H331 | C33 | H333 | 107.5° | 109.5° |
H332 | C33 | H333 | 102.3° | 109.5° |
H351 | C35 | H352 | 113.3° | 109.5° |
H351 | C35 | H353 | 113.3° | 109.4° |
H352 | C35 | H353 | 97.1° | 109.5° |
C37 | C36 | H361 | 110.5° | 109.5° |
C37 | C36 | H362 | 110.5° | 109.4° |
C36 | C37 | H371 | 114.1° | 109.5° |
C36 | C37 | H372 | 110.5° | 109.5° |
C36 | C37 | H373 | 110.5° | 109.4° |
H361 | C36 | H362 | 99.8° | 109.4° |
H301 | C30 | H302 | 113.0° | 109.5° |
H301 | C30 | H303 | 113.0° | 109.5° |
H302 | C30 | H303 | 97.4° | 109.4° |
H321 | C32 | H322 | 109.6° | 109.5° |
H321 | C32 | H323 | 109.6° | 109.5° |
H322 | C32 | H323 | 100.5° | 109.5° |
C23 | C22 | O9 | 112.7° | 109.4° |
C23 | C22 | H22 | 102.7° | 109.5° |
C22 | C23 | C24 | 112.4° | 109.1° |
C22 | C23 | O8 | 104.7° | 109.5° |
C22 | C23 | H23 | 111.1° | 109.5° |
O9 | C22 | H22 | 114.4° | 109.5° |
C22 | O9 | C26 | 112.3° | 114.1° |
C24 | C23 | O8 | 110.6° | 109.6° |
C24 | C23 | H23 | 105.3° | 109.6° |
C23 | C24 | C25 | 105.9° | 109.1° |
C23 | C24 | N1 | 113.3° | 109.5° |
C23 | C24 | H24 | 112.1° | 109.5° |
O8 | C23 | H23 | 112.8° | 109.6° |
C23 | O8 | HO8 | 104.7° | 114.0° |
C25 | C24 | N1 | 116.4° | 109.6° |
C25 | C24 | H24 | 108.7° | 109.6° |
C24 | C25 | C26 | 107.3° | 109.2° |
C24 | C25 | H251 | 113.0° | 109.5° |
C24 | C25 | H252 | 113.0° | 109.5° |
N1 | C24 | H24 | 100.4° | 109.6° |
C24 | N1 | C28 | 111.4° | 111.0° |
C24 | N1 | C29 | 120.5° | 111.0° |
C26 | C25 | H251 | 113.0° | 109.6° |
C26 | C25 | H252 | 113.0° | 109.5° |
C25 | C26 | O9 | 111.4° | 109.5° |
C25 | C26 | C27 | 105.2° | 109.5° |
C25 | C26 | H26 | 110.9° | 109.5° |
H251 | C25 | H252 | 97.4° | 109.5° |
O9 | C26 | C27 | 109.0° | 109.4° |
O9 | C26 | H26 | 107.2° | 109.5° |
C27 | C26 | H26 | 113.2° | 109.5° |
C26 | C27 | H271 | 105.2° | 109.4° |
C26 | C27 | H272 | 113.8° | 109.5° |
C26 | C27 | H273 | 113.8° | 109.4° |
C28 | N1 | C29 | 113.9° | 111.0° |
N1 | C28 | H281 | 111.3° | 109.5° |
N1 | C28 | H282 | 111.5° | 109.5° |
N1 | C28 | H283 | 111.5° | 109.5° |
N1 | C29 | H291 | 120.5° | 109.5° |
N1 | C29 | H292 | 108.3° | 109.5° |
N1 | C29 | H293 | 108.3° | 109.5° |
H271 | C27 | H272 | 113.9° | 109.5° |
H271 | C27 | H273 | 113.8° | 109.5° |
H272 | C27 | H273 | 96.7° | 109.5° |
H281 | C28 | H282 | 111.5° | 109.5° |
H281 | C28 | H283 | 111.5° | 109.4° |
H282 | C28 | H283 | 98.9° | 109.5° |
C15 | C14 | O4 | 106.2° | 109.1° |
C15 | C14 | H14 | 109.1° | 110.3° |
C14 | C15 | C16 | 108.3° | 109.7° |
C14 | C15 | H151 | 112.6° | 109.4° |
C14 | C15 | H152 | 112.6° | 109.4° |
O4 | C14 | H14 | 114.7° | 110.5° |
C14 | O4 | C18 | 112.5° | 117.2° |
C16 | C15 | H151 | 112.7° | 109.5° |
C16 | C15 | H152 | 112.7° | 109.6° |
C15 | C16 | C17 | 98.2° | 110.6° |
C15 | C16 | O5 | 104.4° | 107.8° |
C15 | C16 | C19 | 116.6° | 110.6° |
H151 | C15 | H152 | 97.8° | 109.2° |
C17 | C16 | O5 | 113.6° | 108.1° |
C17 | C16 | C19 | 124.9° | 111.7° |
C16 | C17 | C18 | 112.5° | 113.9° |
C16 | C17 | O6 | 114.1° | 109.1° |
C16 | C17 | H17 | 102.6° | 108.4° |
O5 | C16 | C19 | 98.2° | 107.9° |
C16 | O5 | C20 | 107.1° | 114.0° |
C16 | C19 | H191 | 116.6° | 109.5° |
C16 | C19 | H192 | 109.6° | 109.4° |
C16 | C19 | H193 | 109.6° | 109.5° |
C18 | C17 | O6 | 104.1° | 109.2° |
C18 | C17 | H17 | 112.8° | 108.7° |
C17 | C18 | O4 | 107.9° | 113.3° |
C17 | C18 | C21 | 110.5° | 111.6° |
C17 | C18 | H18 | 112.0° | 107.1° |
O6 | C17 | H17 | 111.2° | 107.4° |
C17 | O6 | HO6 | 114.1° | 114.0° |
O4 | C18 | C21 | 115.0° | 111.1° |
O4 | C18 | H18 | 107.1° | 106.9° |
C21 | C18 | H18 | 104.4° | 106.6° |
C18 | C21 | H211 | 110.5° | 109.5° |
C18 | C21 | H212 | 111.8° | 109.5° |
C18 | C21 | H213 | 111.8° | 109.5° |
O5 | C20 | H201 | 107.1° | 109.5° |
O5 | C20 | H202 | 113.0° | 109.4° |
O5 | C20 | H203 | 113.1° | 109.4° |
H201 | C20 | H202 | 113.2° | 109.5° |
H201 | C20 | H203 | 113.1° | 109.5° |
H202 | C20 | H203 | 97.4° | 109.4° |
H291 | C29 | H292 | 108.2° | 109.4° |
H291 | C29 | H293 | 108.3° | 109.5° |
H292 | C29 | H293 | 101.7° | 109.4° |
H211 | C21 | H212 | 111.8° | 109.4° |
H211 | C21 | H213 | 111.8° | 109.5° |
H212 | C21 | H213 | 98.6° | 109.4° |
H371 | C37 | H372 | 110.5° | 109.5° |
H371 | C37 | H373 | 110.5° | 109.5° |
H372 | C37 | H373 | 99.7° | 109.4° |
H311 | C31 | H312 | 108.7° | 109.5° |
H311 | C31 | H313 | 108.6° | 109.5° |
H312 | C31 | H313 | 101.3° | 109.4° |
H191 | C19 | H192 | 109.6° | 109.4° |
H191 | C19 | H193 | 109.7° | 109.6° |
H192 | C19 | H193 | 100.6° | 109.4° |
O13 | C38 | O14 | 105.8° | 109.5° |
O13 | C38 | H381 | 113.6° | 109.5° |
O13 | C38 | H382 | 113.6° | 109.5° |
O14 | C38 | H381 | 113.6° | 109.5° |
O14 | C38 | H382 | 113.6° | 109.5° |
C38 | O14 | C39 | 116.5° | 114.0° |
H381 | C38 | H382 | 96.9° | 109.4° |
C40 | C39 | O14 | 107.1° | 109.5° |
C40 | C39 | H391 | 113.1° | 109.4° |
C40 | C39 | H392 | 113.1° | 109.5° |
C39 | C40 | O15 | 106.0° | 109.4° |
C39 | C40 | H401 | 113.5° | 109.5° |
C39 | C40 | H402 | 113.5° | 109.5° |
O14 | C39 | H391 | 113.1° | 109.5° |
O14 | C39 | H392 | 113.1° | 109.5° |
H391 | C39 | H392 | 97.4° | 109.4° |
O15 | C40 | H401 | 113.5° | 109.5° |
O15 | C40 | H402 | 113.5° | 109.4° |
C40 | O15 | C41 | 112.9° | 114.0° |
H401 | C40 | H402 | 97.0° | 109.5° |
O15 | C41 | H411 | 112.9° | 109.5° |
O15 | C41 | H412 | 110.9° | 109.5° |
O15 | C41 | H413 | 110.9° | 109.5° |
H411 | C41 | H412 | 111.0° | 109.5° |
H411 | C41 | H413 | 111.0° | 109.5° |
H412 | C41 | H413 | 99.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C11 | C10 | C9 | C34 | 127.6° | 126.4° |
C11 | C10 | C9 | H10 | 111.7° | 116.9° |
C11 | C10 | C34 | H10 | 111.5° | 121.4° |
C10 | C11 | C12 | O11 | 128.1° | 127.0° |
C10 | C11 | C12 | H11 | 108.9° | 118.0° |
C10 | C11 | O11 | H11 | 109.8° | 112.6° |
C10 | C11 | C12 | C13 | 152.0° | 166.6° |
C10 | C11 | C12 | C35 | 38.8° | 75.0° |
C10 | C11 | C12 | O12 | 84.3° | 47.4° |
C11 | C10 | C9 | C8 | 103.2° | 85.2° |
C11 | C10 | C9 | N2 | 80.9° | 95.1° |
C11 | C10 | C34 | H341 | 180.0° | 60.0° |
C11 | C10 | C34 | H342 | 54.8° | 179.9° |
C11 | C10 | C34 | H343 | 54.7° | 60.0° |
C10 | C11 | O11 | HO11 | 180.0° | 169.9° |
C9 | C10 | C34 | H10 | 122.8° | 116.1° |
C9 | C10 | C11 | C12 | 172.7° | 162.4° |
C9 | C10 | C11 | O11 | 50.2° | 34.6° |
C9 | C10 | C11 | H11 | 71.1° | 78.4° |
C10 | C9 | C8 | C7 | 51.4° | 118.4° |
C10 | C9 | C8 | N2 | 176.0° | 179.8° |
C10 | C9 | C8 | C33 | 87.7° | 122.3° |
C10 | C9 | C8 | H8 | 163.7° | 2.6° |
C10 | C9 | N2 | O13 | 177.5° | 173.8° |
C9 | C10 | C34 | H341 | 54.3° | 62.4° |
C9 | C10 | C34 | H342 | 179.5° | 57.6° |
C9 | C10 | C34 | H343 | 71.0° | 177.6° |
C34 | C10 | C11 | C12 | 54.1° | 39.7° |
C34 | C10 | C11 | O11 | 68.4° | 88.1° |
C34 | C10 | C11 | H11 | 170.2° | 158.9° |
C34 | C10 | C9 | C8 | 129.2° | 41.2° |
C34 | C10 | C9 | N2 | 46.7° | 138.5° |
C10 | C34 | H341 | H342 | 125.2° | 120.1° |
C10 | C34 | H341 | H343 | 125.3° | 120.0° |
C10 | C34 | H342 | H343 | 115.0° | 120.0° |
H10 | C10 | C11 | C12 | 65.4° | 81.5° |
H10 | C10 | C11 | O11 | 172.1° | 150.7° |
H10 | C10 | C11 | H11 | 50.7° | 37.7° |
H10 | C10 | C9 | C8 | 8.5° | 157.9° |
H10 | C10 | C9 | N2 | 167.4° | 21.8° |
H10 | C10 | C34 | H341 | 68.5° | 178.6° |
H10 | C10 | C34 | H342 | 56.7° | 58.5° |
H10 | C10 | C34 | H343 | 166.2° | 61.4° |
C12 | C11 | O11 | H11 | 118.7° | 115.9° |
C11 | C12 | C13 | C35 | 113.9° | 119.5° |
C11 | C12 | C13 | O12 | 123.9° | 124.0° |
C11 | C12 | C35 | O12 | 122.8° | 125.6° |
C11 | C12 | C13 | O2 | 70.1° | 75.7° |
C11 | C12 | C13 | C36 | 166.9° | 53.6° |
C11 | C12 | C13 | H13 | 50.6° | 168.0° |
C11 | C12 | C35 | H351 | 180.0° | 60.0° |
C11 | C12 | C35 | H352 | 54.7° | 180.0° |
C11 | C12 | C35 | H353 | 54.7° | 59.9° |
C12 | C11 | O11 | HO11 | 48.5° | 58.7° |
C11 | C12 | O12 | HO12 | 180.0° | 180.0° |
O11 | C11 | C12 | C13 | 79.9° | 39.6° |
O11 | C11 | C12 | C35 | 166.9° | 158.0° |
O11 | C11 | C12 | O12 | 43.8° | 79.6° |
H11 | C11 | C12 | C13 | 43.1° | 75.4° |
H11 | C11 | C12 | C35 | 70.1° | 43.1° |
H11 | C11 | C12 | O12 | 166.8° | 165.5° |
H11 | C11 | O11 | HO11 | 70.2° | 57.2° |
C13 | C12 | C35 | O12 | 121.7° | 114.6° |
C12 | C13 | O2 | C36 | 123.7° | 126.8° |
C12 | C13 | O2 | H13 | 119.9° | 114.8° |
C12 | C13 | C36 | H13 | 119.7° | 114.1° |
C12 | C13 | O2 | C1 | 159.4° | 120.7° |
C13 | C12 | C35 | H351 | 64.5° | 59.8° |
C13 | C12 | C35 | H352 | 170.2° | 60.2° |
C13 | C12 | C35 | H353 | 60.7° | 179.7° |
C13 | C12 | O12 | HO12 | 57.9° | 58.6° |
C12 | C13 | C36 | C37 | 176.1° | 175.0° |
C12 | C13 | C36 | H361 | 50.9° | 54.9° |
C12 | C13 | C36 | H362 | 58.6° | 65.0° |
C35 | C12 | C13 | O2 | 43.8° | 164.8° |
C35 | C12 | C13 | C36 | 79.2° | 65.9° |
C35 | C12 | C13 | H13 | 164.5° | 48.5° |
C12 | C35 | H351 | H352 | 125.3° | 120.0° |
C12 | C35 | H351 | H353 | 125.2° | 119.9° |
C12 | C35 | H352 | H353 | 119.2° | 120.0° |
C35 | C12 | O12 | HO12 | 60.3° | 57.1° |
O12 | C12 | C13 | O2 | 166.0° | 48.3° |
O12 | C12 | C13 | C36 | 43.0° | 177.7° |
O12 | C12 | C13 | H13 | 73.3° | 67.9° |
O12 | C12 | C35 | H351 | 57.2° | 174.4° |
O12 | C12 | C35 | H352 | 68.1° | 54.4° |
O12 | C12 | C35 | H353 | 177.5° | 65.7° |
O2 | C13 | C36 | H13 | 120.5° | 119.3° |
C13 | O2 | C1 | C2 | 158.5° | 168.2° |
C13 | O2 | C1 | O1 | 20.3° | 11.2° |
O2 | C13 | C36 | C37 | 64.1° | 58.4° |
O2 | C13 | C36 | H361 | 170.7° | 178.4° |
O2 | C13 | C36 | H362 | 61.2° | 61.6° |
C36 | C13 | O2 | C1 | 76.9° | 6.1° |
C13 | C36 | C37 | H361 | 125.3° | 120.1° |
C13 | C36 | C37 | H362 | 125.2° | 120.0° |
C13 | C36 | H361 | H362 | 116.3° | 120.0° |
C13 | C36 | C37 | H371 | 180.0° | 180.0° |
C13 | C36 | C37 | H372 | 54.7° | 59.9° |
C13 | C36 | C37 | H373 | 54.7° | 60.0° |
H13 | C13 | O2 | C1 | 39.5° | 124.4° |
H13 | C13 | C36 | C37 | 56.4° | 60.9° |
H13 | C13 | C36 | H361 | 68.8° | 59.1° |
H13 | C13 | C36 | H362 | 178.3° | 179.1° |
O2 | C1 | C2 | C3 | 82.8° | 118.8° |
O2 | C1 | C2 | O1 | 178.7° | 179.4° |
O2 | C1 | C2 | C30 | 152.9° | 10.1° |
O2 | C1 | C2 | H2 | 34.4° | 124.0° |
C3 | C2 | C1 | C30 | 124.4° | 128.9° |
C3 | C2 | C1 | H2 | 117.2° | 117.2° |
C3 | C2 | C30 | H2 | 118.2° | 115.9° |
C2 | C3 | C4 | O3 | 131.3° | 126.0° |
C2 | C3 | C4 | H3 | 114.9° | 121.2° |
C2 | C3 | O3 | H3 | 116.7° | 114.9° |
C2 | C3 | C4 | C5 | 163.3° | 106.3° |
C2 | C3 | C4 | C31 | 58.6° | 22.3° |
C2 | C3 | C4 | H4 | 47.8° | 138.7° |
C3 | C2 | C1 | O1 | 96.0° | 61.8° |
C2 | C3 | O3 | C14 | 71.5° | 90.0° |
C3 | C2 | C30 | H301 | 180.0° | 60.0° |
C3 | C2 | C30 | H302 | 54.7° | 179.9° |
C3 | C2 | C30 | H303 | 54.7° | 60.0° |
C1 | C2 | C30 | H2 | 113.3° | 113.4° |
C1 | C2 | C3 | C4 | 154.5° | 46.2° |
C1 | C2 | C3 | O3 | 70.8° | 80.0° |
C1 | C2 | C3 | H3 | 45.2° | 166.8° |
C1 | C2 | C30 | H301 | 51.5° | 70.7° |
C1 | C2 | C30 | H302 | 176.8° | 49.4° |
C1 | C2 | C30 | H303 | 73.8° | 169.3° |
C30 | C2 | C3 | C4 | 77.9° | 82.1° |
C30 | C2 | C3 | O3 | 56.9° | 151.7° |
C30 | C2 | C3 | H3 | 172.9° | 38.5° |
C30 | C2 | C1 | O1 | 28.4° | 169.3° |
C2 | C30 | H301 | H302 | 125.3° | 120.0° |
C2 | C30 | H301 | H303 | 125.3° | 120.0° |
C2 | C30 | H302 | H303 | 118.9° | 119.9° |
H2 | C2 | C3 | C4 | 41.3° | 162.5° |
H2 | C2 | C3 | O3 | 176.1° | 36.3° |
H2 | C2 | C3 | H3 | 67.9° | 76.9° |
H2 | C2 | C1 | O1 | 146.8° | 55.4° |
H2 | C2 | C30 | H301 | 61.8° | 175.9° |
H2 | C2 | C30 | H302 | 63.4° | 64.0° |
H2 | C2 | C30 | H303 | 172.9° | 55.9° |
C4 | C3 | O3 | H3 | 108.9° | 113.8° |
C3 | C4 | C5 | C31 | 140.1° | 128.7° |
C3 | C4 | C5 | H4 | 111.7° | 115.1° |
C3 | C4 | C31 | H4 | 108.6° | 116.5° |
C3 | C4 | C5 | C6 | 105.0° | 174.9° |
C3 | C4 | C5 | O7 | 136.9° | 57.5° |
C3 | C4 | C5 | H5 | 9.4° | 57.8° |
C4 | C3 | O3 | C14 | 154.2° | 138.7° |
C3 | C4 | C31 | H311 | 180.0° | 60.0° |
C3 | C4 | C31 | H312 | 54.7° | 180.0° |
C3 | C4 | C31 | H313 | 54.8° | 60.0° |
O3 | C3 | C4 | C5 | 65.4° | 19.7° |
O3 | C3 | C4 | C31 | 72.7° | 148.3° |
O3 | C3 | C4 | H4 | 179.1° | 95.3° |
C3 | O3 | C14 | C15 | 149.9° | 175.0° |
C3 | O3 | C14 | O4 | 35.0° | 65.9° |
C3 | O3 | C14 | H14 | 89.1° | 54.7° |
H3 | C3 | C4 | C5 | 48.4° | 132.5° |
H3 | C3 | C4 | C31 | 173.5° | 99.0° |
H3 | C3 | C4 | H4 | 67.1° | 17.5° |
H3 | C3 | O3 | C14 | 45.3° | 24.9° |
C5 | C4 | C31 | H4 | 114.4° | 116.0° |
C4 | C5 | C6 | O7 | 119.4° | 127.6° |
C4 | C5 | C6 | H5 | 113.0° | 117.7° |
C4 | C5 | O7 | H5 | 113.9° | 116.1° |
C4 | C5 | C6 | C7 | 65.8° | 113.5° |
C4 | C5 | C6 | C32 | 51.7° | 128.7° |
C4 | C5 | C6 | O10 | 175.7° | 12.0° |
C4 | C5 | O7 | C22 | 89.1° | 128.2° |
C5 | C4 | C31 | H311 | 43.0° | 172.5° |
C5 | C4 | C31 | H312 | 82.2° | 52.5° |
C5 | C4 | C31 | H313 | 168.3° | 67.5° |
C31 | C4 | C5 | C6 | 114.9° | 56.4° |
C31 | C4 | C5 | O7 | 3.2° | 71.2° |
C31 | C4 | C5 | H5 | 130.7° | 173.5° |
C4 | C31 | H311 | H312 | 125.3° | 120.0° |
C4 | C31 | H311 | H313 | 125.3° | 120.0° |
C4 | C31 | H312 | H313 | 114.4° | 120.0° |
H4 | C4 | C5 | C6 | 6.7° | 59.8° |
H4 | C4 | C5 | O7 | 111.3° | 172.6° |
H4 | C4 | C5 | H5 | 121.1° | 57.3° |
H4 | C4 | C31 | H311 | 71.4° | 56.4° |
H4 | C4 | C31 | H312 | 163.4° | 63.6° |
H4 | C4 | C31 | H313 | 53.9° | 176.5° |
C6 | C5 | O7 | H5 | 115.4° | 115.0° |
C5 | C6 | C7 | C32 | 124.0° | 117.7° |
C5 | C6 | C7 | O10 | 112.5° | 125.8° |
C5 | C6 | C32 | O10 | 128.6° | 119.8° |
C5 | C6 | C7 | C8 | 160.3° | 110.6° |
C5 | C6 | C7 | H71 | 74.4° | 131.0° |
C5 | C6 | C7 | H72 | 35.1° | 13.6° |
C6 | C5 | O7 | C22 | 140.3° | 102.9° |
C5 | C6 | C32 | H321 | 180.0° | 60.0° |
C5 | C6 | C32 | H322 | 54.7° | 180.0° |
C5 | C6 | C32 | H323 | 54.7° | 60.0° |
C5 | C6 | O10 | HO10 | 180.0° | 180.0° |
O7 | C5 | C6 | C7 | 174.8° | 14.1° |
O7 | C5 | C6 | C32 | 67.7° | 103.6° |
O7 | C5 | C6 | O10 | 64.9° | 139.6° |
C5 | O7 | C22 | C23 | 165.9° | 163.2° |
C5 | O7 | C22 | O9 | 74.1° | 43.3° |
C5 | O7 | C22 | H22 | 49.0° | 76.7° |
H5 | C5 | C6 | C7 | 47.1° | 128.8° |
H5 | C5 | C6 | C32 | 164.6° | 11.1° |
H5 | C5 | C6 | O10 | 62.8° | 105.7° |
H5 | C5 | O7 | C22 | 24.8° | 12.0° |
C7 | C6 | C32 | O10 | 115.7° | 119.2° |
C6 | C7 | C8 | H71 | 125.2° | 119.0° |
C6 | C7 | C8 | H72 | 125.3° | 125.7° |
C6 | C7 | H71 | H72 | 114.5° | 121.0° |
C6 | C7 | C8 | C9 | 174.3° | 150.4° |
C6 | C7 | C8 | C33 | 51.9° | 90.6° |
C6 | C7 | C8 | H8 | 53.2° | 28.6° |
C7 | C6 | C32 | H321 | 64.3° | 61.1° |
C7 | C6 | C32 | H322 | 170.4° | 59.0° |
C7 | C6 | C32 | H323 | 61.0° | 179.0° |
C7 | C6 | O10 | HO10 | 70.3° | 53.7° |
C32 | C6 | C7 | C8 | 75.7° | 131.7° |
C32 | C6 | C7 | H71 | 49.6° | 13.2° |
C32 | C6 | C7 | H72 | 159.0° | 104.1° |
C6 | C32 | H321 | H322 | 125.2° | 120.0° |
C6 | C32 | H321 | H323 | 125.3° | 120.0° |
C6 | C32 | H322 | H323 | 115.4° | 120.0° |
C32 | C6 | O10 | HO10 | 47.1° | 63.0° |
O10 | C6 | C7 | C8 | 47.8° | 15.2° |
O10 | C6 | C7 | H71 | 173.1° | 103.3° |
O10 | C6 | C7 | H72 | 77.5° | 139.4° |
O10 | C6 | C32 | H321 | 51.4° | 179.8° |
O10 | C6 | C32 | H322 | 73.9° | 60.2° |
O10 | C6 | C32 | H323 | 176.7° | 59.8° |
C8 | C7 | H71 | H72 | 114.6° | 117.3° |
C7 | C8 | C9 | C33 | 139.1° | 119.3° |
C7 | C8 | C9 | H8 | 112.3° | 121.0° |
C7 | C8 | C33 | H8 | 107.6° | 119.5° |
C7 | C8 | C9 | N2 | 132.6° | 61.8° |
C7 | C8 | C33 | H331 | 180.0° | 60.1° |
C7 | C8 | C33 | H332 | 54.7° | 180.0° |
C7 | C8 | C33 | H333 | 54.7° | 59.9° |
H71 | C7 | C8 | C9 | 60.5° | 90.6° |
H71 | C7 | C8 | C33 | 73.4° | 28.3° |
H71 | C7 | C8 | H8 | 178.4° | 147.5° |
H72 | C7 | C8 | C9 | 49.0° | 24.7° |
H72 | C7 | C8 | C33 | 177.1° | 143.7° |
H72 | C7 | C8 | H8 | 72.1° | 97.1° |
C9 | C8 | C33 | H8 | 120.1° | 120.9° |
C8 | C9 | N2 | O13 | 1.6° | 6.5° |
C9 | C8 | C33 | H331 | 47.6° | 59.5° |
C9 | C8 | C33 | H332 | 172.9° | 60.4° |
C9 | C8 | C33 | H333 | 77.7° | 179.5° |
C33 | C8 | C9 | N2 | 88.3° | 57.5° |
C8 | C33 | H331 | H332 | 125.3° | 120.0° |
C8 | C33 | H331 | H333 | 125.3° | 120.0° |
C8 | C33 | H332 | H333 | 113.0° | 120.1° |
H8 | C8 | C9 | N2 | 20.3° | 177.1° |
H8 | C8 | C33 | H331 | 72.4° | 179.6° |
H8 | C8 | C33 | H332 | 52.8° | 60.5° |
H8 | C8 | C33 | H333 | 162.3° | 59.6° |
C9 | N2 | O13 | C38 | 170.7° | 175.1° |
N2 | O13 | C38 | O14 | 51.8° | 175.9° |
N2 | O13 | C38 | H381 | 73.5° | 55.9° |
N2 | O13 | C38 | H382 | 177.0° | 64.1° |
O3 | C14 | C15 | O4 | 114.6° | 119.1° |
O3 | C14 | C15 | H14 | 121.3° | 119.2° |
O3 | C14 | O4 | H14 | 120.9° | 119.5° |
O3 | C14 | C15 | C16 | 149.7° | 178.5° |
O3 | C14 | C15 | H151 | 84.9° | 61.3° |
O3 | C14 | C15 | H152 | 24.4° | 58.3° |
O3 | C14 | O4 | C18 | 78.8° | 177.5° |
O7 | C22 | C23 | O9 | 112.6° | 120.0° |
O7 | C22 | C23 | H22 | 123.8° | 120.1° |
O7 | C22 | O9 | H22 | 123.3° | 120.0° |
O7 | C22 | C23 | C24 | 166.2° | 177.6° |
O7 | C22 | C23 | O8 | 73.6° | 62.5° |
O7 | C22 | C23 | H23 | 48.5° | 57.6° |
O7 | C22 | O9 | C26 | 173.4° | 178.9° |
H341 | C34 | H342 | H343 | 115.0° | 120.0° |
H331 | C33 | H332 | H333 | 113.0° | 120.0° |
H351 | C35 | H352 | H353 | 119.2° | 120.0° |
C37 | C36 | H361 | H362 | 116.4° | 120.0° |
C36 | C37 | H371 | H372 | 125.2° | 120.0° |
C36 | C37 | H371 | H373 | 125.3° | 120.0° |
C36 | C37 | H372 | H373 | 116.3° | 120.0° |
H361 | C36 | C37 | H371 | 54.7° | 60.0° |
H361 | C36 | C37 | H372 | 180.0° | 180.0° |
H361 | C36 | C37 | H373 | 70.6° | 60.0° |
H362 | C36 | C37 | H371 | 54.8° | 60.0° |
H362 | C36 | C37 | H372 | 70.5° | 60.0° |
H362 | C36 | C37 | H373 | 179.9° | 180.0° |
H301 | C30 | H302 | H303 | 118.9° | 120.1° |
H321 | C32 | H322 | H323 | 115.4° | 120.0° |
C23 | C22 | O9 | H22 | 116.9° | 120.0° |
C22 | C23 | C24 | O8 | 116.7° | 119.9° |
C22 | C23 | C24 | H23 | 121.1° | 119.9° |
C22 | C23 | O8 | H23 | 121.0° | 120.1° |
C22 | C23 | C24 | C25 | 56.1° | 57.0° |
C22 | C23 | C24 | N1 | 175.1° | 176.9° |
C22 | C23 | C24 | H24 | 62.3° | 62.9° |
C23 | C22 | O9 | C26 | 53.6° | 61.1° |
C22 | C23 | O8 | HO8 | 180.0° | 79.3° |
O9 | C22 | C23 | C24 | 53.7° | 57.6° |
O9 | C22 | C23 | O8 | 173.8° | 177.5° |
O9 | C22 | C23 | H23 | 64.0° | 62.3° |
C22 | O9 | C26 | C25 | 59.6° | 61.1° |
C22 | O9 | C26 | C27 | 175.3° | 178.8° |
C22 | O9 | C26 | H26 | 61.8° | 58.9° |
H22 | C22 | C23 | C24 | 70.0° | 62.4° |
H22 | C22 | C23 | O8 | 50.2° | 57.5° |
H22 | C22 | C23 | H23 | 172.3° | 177.7° |
H22 | C22 | O9 | C26 | 63.3° | 58.9° |
C24 | C23 | O8 | H23 | 117.6° | 120.2° |
C23 | C24 | C25 | N1 | 126.9° | 119.9° |
C23 | C24 | C25 | H24 | 120.6° | 119.9° |
C23 | C24 | N1 | H24 | 119.8° | 120.2° |
C23 | C24 | C25 | C26 | 59.5° | 57.0° |
C23 | C24 | C25 | H251 | 175.1° | 176.9° |
C23 | C24 | C25 | H252 | 65.7° | 62.9° |
C23 | C24 | N1 | C28 | 156.2° | 65.6° |
C23 | C24 | N1 | C29 | 66.5° | 170.5° |
C24 | C23 | O8 | HO8 | 58.7° | 161.1° |
O8 | C23 | C24 | C25 | 172.8° | 176.9° |
O8 | C23 | C24 | N1 | 58.4° | 63.2° |
O8 | C23 | C24 | H24 | 54.4° | 57.0° |
H23 | C23 | C24 | C25 | 65.0° | 62.9° |
H23 | C23 | C24 | N1 | 63.8° | 57.0° |
H23 | C23 | C24 | H24 | 176.6° | 177.2° |
H23 | C23 | O8 | HO8 | 58.9° | 40.8° |
C25 | C24 | N1 | H24 | 117.1° | 120.2° |
C24 | C25 | C26 | H251 | 125.3° | 119.9° |
C24 | C25 | C26 | H252 | 125.3° | 119.9° |
C24 | C25 | H251 | H252 | 118.9° | 120.2° |
C24 | C25 | C26 | O9 | 63.1° | 57.6° |
C24 | C25 | C26 | C27 | 178.9° | 177.6° |
C24 | C25 | C26 | H26 | 56.2° | 62.4° |
C25 | C24 | N1 | C28 | 80.7° | 54.0° |
C25 | C24 | N1 | C29 | 56.7° | 69.9° |
N1 | C24 | C25 | C26 | 173.5° | 176.8° |
N1 | C24 | C25 | H251 | 48.2° | 63.2° |
N1 | C24 | C25 | H252 | 61.2° | 57.0° |
C24 | N1 | C28 | C29 | 140.3° | 123.9° |
C24 | N1 | C28 | H281 | 180.0° | 60.0° |
C24 | N1 | C28 | H282 | 54.7° | 180.0° |
C24 | N1 | C28 | H283 | 54.8° | 60.0° |
C24 | N1 | C29 | H291 | 180.0° | 64.3° |
C24 | N1 | C29 | H292 | 54.7° | 175.7° |
C24 | N1 | C29 | H293 | 54.7° | 55.7° |
H24 | C24 | C25 | C26 | 61.1° | 62.9° |
H24 | C24 | C25 | H251 | 64.2° | 57.1° |
H24 | C24 | C25 | H252 | 173.6° | 177.2° |
H24 | C24 | N1 | C28 | 36.4° | 174.2° |
H24 | C24 | N1 | C29 | 173.7° | 50.3° |
C26 | C25 | H251 | H252 | 118.9° | 120.1° |
C25 | C26 | O9 | C27 | 115.7° | 120.0° |
C25 | C26 | O9 | H26 | 121.4° | 120.0° |
C25 | C26 | C27 | H26 | 121.2° | 120.0° |
C25 | C26 | C27 | H271 | 180.0° | 64.9° |
C25 | C26 | C27 | H272 | 54.7° | 175.1° |
C25 | C26 | C27 | H273 | 54.7° | 55.1° |
H251 | C25 | C26 | O9 | 171.6° | 177.6° |
H251 | C25 | C26 | C27 | 53.6° | 62.5° |
H251 | C25 | C26 | H26 | 69.1° | 57.6° |
H252 | C25 | C26 | O9 | 62.2° | 62.3° |
H252 | C25 | C26 | C27 | 55.8° | 57.7° |
H252 | C25 | C26 | H26 | 178.5° | 177.7° |
O9 | C26 | C27 | H26 | 119.2° | 120.0° |
O9 | C26 | C27 | H271 | 60.4° | 55.1° |
O9 | C26 | C27 | H272 | 174.3° | 64.9° |
O9 | C26 | C27 | H273 | 64.9° | 175.1° |
C26 | C27 | H271 | H272 | 125.3° | 120.0° |
C26 | C27 | H271 | H273 | 125.2° | 119.9° |
C26 | C27 | H272 | H273 | 119.7° | 120.0° |
H26 | C26 | C27 | H271 | 58.8° | 175.1° |
H26 | C26 | C27 | H272 | 66.5° | 55.1° |
H26 | C26 | C27 | H273 | 175.9° | 64.9° |
N1 | C28 | H281 | H282 | 125.2° | 120.0° |
N1 | C28 | H281 | H283 | 125.2° | 120.0° |
N1 | C28 | H282 | H283 | 117.4° | 120.0° |
C28 | N1 | C29 | H291 | 43.7° | 171.8° |
C28 | N1 | C29 | H292 | 168.9° | 51.8° |
C28 | N1 | C29 | H293 | 81.6° | 68.2° |
C29 | N1 | C28 | H281 | 39.7° | 64.0° |
C29 | N1 | C28 | H282 | 85.5° | 56.1° |
C29 | N1 | C28 | H283 | 164.9° | 176.1° |
N1 | C29 | H291 | H292 | 125.3° | 120.0° |
N1 | C29 | H291 | H293 | 125.3° | 120.1° |
N1 | C29 | H292 | H293 | 113.9° | 120.1° |
H271 | C27 | H272 | H273 | 119.8° | 120.1° |
H281 | C28 | H282 | H283 | 117.4° | 120.0° |
C15 | C14 | O4 | H14 | 120.6° | 121.5° |
C14 | C15 | C16 | H151 | 125.3° | 120.1° |
C14 | C15 | C16 | H152 | 125.3° | 120.2° |
C14 | C15 | H151 | H152 | 118.5° | 119.8° |
C14 | C15 | C16 | C17 | 75.6° | 54.3° |
C14 | C15 | C16 | O5 | 167.3° | 172.3° |
C14 | C15 | C16 | C19 | 60.3° | 69.9° |
C15 | C14 | O4 | C18 | 39.7° | 58.5° |
O4 | C14 | C15 | C16 | 35.2° | 59.4° |
O4 | C14 | C15 | H151 | 160.5° | 179.5° |
O4 | C14 | C15 | H152 | 90.1° | 60.9° |
C14 | O4 | C18 | C17 | 73.2° | 49.7° |
C14 | O4 | C18 | C21 | 163.0° | 76.8° |
C14 | O4 | C18 | H18 | 47.5° | 167.3° |
H14 | C14 | C15 | C16 | 89.0° | 62.3° |
H14 | C14 | C15 | H151 | 36.3° | 57.9° |
H14 | C14 | C15 | H152 | 145.7° | 177.5° |
H14 | C14 | O4 | C18 | 160.3° | 63.0° |
C16 | C15 | H151 | H152 | 118.6° | 120.0° |
C15 | C16 | C17 | O5 | 109.7° | 117.9° |
C15 | C16 | C17 | C19 | 130.7° | 123.6° |
C15 | C16 | O5 | C19 | 120.3° | 119.5° |
C15 | C16 | C17 | C18 | 43.0° | 45.9° |
C15 | C16 | C17 | O6 | 75.2° | 76.4° |
C15 | C16 | C17 | H17 | 164.4° | 167.0° |
C15 | C16 | O5 | C20 | 171.6° | 60.0° |
C15 | C16 | C19 | H191 | 180.0° | 60.1° |
C15 | C16 | C19 | H192 | 54.7° | 180.0° |
C15 | C16 | C19 | H193 | 54.7° | 60.1° |
H151 | C15 | C16 | C17 | 159.1° | 174.4° |
H151 | C15 | C16 | O5 | 42.1° | 67.6° |
H151 | C15 | C16 | C19 | 65.0° | 50.2° |
H152 | C15 | C16 | C17 | 49.6° | 65.9° |
H152 | C15 | C16 | O5 | 67.4° | 52.1° |
H152 | C15 | C16 | C19 | 174.4° | 169.9° |
C17 | C16 | O5 | C19 | 133.9° | 120.9° |
C16 | C17 | C18 | O6 | 124.0° | 122.2° |
C16 | C17 | C18 | H17 | 115.4° | 120.9° |
C16 | C17 | O6 | H17 | 115.4° | 117.3° |
C16 | C17 | C18 | O4 | 22.9° | 42.0° |
C16 | C17 | C18 | C21 | 149.4° | 84.2° |
C16 | C17 | C18 | H18 | 94.8° | 159.6° |
C17 | C16 | O5 | C20 | 82.5° | 179.6° |
C16 | C17 | O6 | HO6 | 180.0° | 180.0° |
C17 | C16 | C19 | H191 | 57.0° | 176.3° |
C17 | C16 | C19 | H192 | 68.2° | 56.4° |
C17 | C16 | C19 | H193 | 177.7° | 63.6° |
O5 | C16 | C17 | C18 | 152.7° | 163.7° |
O5 | C16 | C17 | O6 | 34.5° | 41.5° |
O5 | C16 | C17 | H17 | 85.9° | 75.2° |
C16 | O5 | C20 | H201 | 180.0° | 60.0° |
C16 | O5 | C20 | H202 | 54.7° | 180.0° |
C16 | O5 | C20 | H203 | 54.7° | 60.0° |
O5 | C16 | C19 | H191 | 69.3° | 57.6° |
O5 | C16 | C19 | H192 | 165.4° | 62.3° |
O5 | C16 | C19 | H193 | 56.0° | 177.8° |
C19 | C16 | C17 | C18 | 87.7° | 77.7° |
C19 | C16 | C17 | O6 | 154.1° | 160.0° |
C19 | C16 | C17 | H17 | 33.7° | 43.4° |
C19 | C16 | O5 | C20 | 51.3° | 59.5° |
C16 | C19 | H191 | H192 | 125.2° | 119.9° |
C16 | C19 | H191 | H193 | 125.2° | 120.1° |
C16 | C19 | H192 | H193 | 115.4° | 120.0° |
C18 | C17 | O6 | H17 | 121.7° | 117.7° |
C17 | C18 | O4 | C21 | 123.8° | 126.5° |
C17 | C18 | O4 | H18 | 120.7° | 117.6° |
C17 | C18 | C21 | H18 | 120.5° | 116.5° |
C18 | C17 | O6 | HO6 | 57.1° | 55.0° |
C17 | C18 | C21 | H211 | 180.0° | 60.0° |
C17 | C18 | C21 | H212 | 54.7° | 180.0° |
C17 | C18 | C21 | H213 | 54.8° | 60.0° |
O6 | C17 | C18 | O4 | 146.8° | 80.1° |
O6 | C17 | C18 | C21 | 86.7° | 153.7° |
O6 | C17 | C18 | H18 | 29.2° | 37.4° |
H17 | C17 | C18 | O4 | 92.6° | 163.0° |
H17 | C17 | C18 | C21 | 34.0° | 36.8° |
H17 | C17 | C18 | H18 | 149.8° | 79.5° |
H17 | C17 | O6 | HO6 | 64.6° | 62.7° |
O4 | C18 | C21 | H18 | 117.1° | 116.1° |
O4 | C18 | C21 | H211 | 57.6° | 172.6° |
O4 | C18 | C21 | H212 | 67.7° | 52.6° |
O4 | C18 | C21 | H213 | 177.2° | 67.4° |
C18 | C21 | H211 | H212 | 125.3° | 120.0° |
C18 | C21 | H211 | H213 | 125.2° | 120.0° |
C18 | C21 | H212 | H213 | 117.8° | 120.0° |
H18 | C18 | C21 | H211 | 59.5° | 56.5° |
H18 | C18 | C21 | H212 | 175.2° | 63.5° |
H18 | C18 | C21 | H213 | 65.7° | 176.5° |
O5 | C20 | H201 | H202 | 125.2° | 120.0° |
O5 | C20 | H201 | H203 | 125.2° | 120.0° |
O5 | C20 | H202 | H203 | 119.0° | 119.9° |
H201 | C20 | H202 | H203 | 119.1° | 120.1° |
H291 | C29 | H292 | H293 | 113.9° | 119.9° |
H211 | C21 | H212 | H213 | 117.7° | 120.0° |
H371 | C37 | H372 | H373 | 116.4° | 120.0° |
H311 | C31 | H312 | H313 | 114.3° | 120.0° |
H191 | C19 | H192 | H193 | 115.5° | 120.1° |
O13 | C38 | O14 | H381 | 125.2° | 120.0° |
O13 | C38 | O14 | H382 | 125.2° | 120.0° |
O13 | C38 | H381 | H382 | 119.5° | 120.0° |
O13 | C38 | O14 | C39 | 172.3° | 74.0° |
O14 | C38 | H381 | H382 | 119.6° | 120.0° |
C38 | O14 | C39 | C40 | 173.7° | 175.0° |
C38 | O14 | C39 | H391 | 48.4° | 55.0° |
C38 | O14 | C39 | H392 | 61.0° | 65.0° |
H381 | C38 | O14 | C39 | 62.5° | 46.0° |
H382 | C38 | O14 | C39 | 47.0° | 166.0° |
C40 | C39 | O14 | H391 | 125.3° | 120.0° |
C40 | C39 | O14 | H392 | 125.3° | 120.0° |
C40 | C39 | H391 | H392 | 119.1° | 120.0° |
C39 | C40 | O15 | H401 | 125.2° | 120.0° |
C39 | C40 | O15 | H402 | 125.3° | 119.9° |
C39 | C40 | H401 | H402 | 119.4° | 120.0° |
C39 | C40 | O15 | C41 | 135.7° | 180.0° |
O14 | C39 | H391 | H392 | 119.0° | 120.0° |
O14 | C39 | C40 | O15 | 177.5° | 65.0° |
O14 | C39 | C40 | H401 | 52.2° | 175.0° |
O14 | C39 | C40 | H402 | 57.2° | 55.0° |
H391 | C39 | C40 | O15 | 52.2° | 175.0° |
H391 | C39 | C40 | H401 | 73.0° | 55.0° |
H391 | C39 | C40 | H402 | 177.5° | 65.0° |
H392 | C39 | C40 | O15 | 57.3° | 55.1° |
H392 | C39 | C40 | H401 | 177.4° | 65.0° |
H392 | C39 | C40 | H402 | 68.0° | 175.0° |
O15 | C40 | H401 | H402 | 119.5° | 120.0° |
C40 | O15 | C41 | H411 | 180.0° | 180.0° |
C40 | O15 | C41 | H412 | 54.7° | 60.0° |
C40 | O15 | C41 | H413 | 54.7° | 60.0° |
H401 | C40 | O15 | C41 | 99.1° | 60.0° |
H402 | C40 | O15 | C41 | 10.4° | 60.0° |
O15 | C41 | H411 | H412 | 125.2° | 120.0° |
O15 | C41 | H411 | H413 | 125.3° | 120.0° |
O15 | C41 | H412 | H413 | 116.8° | 120.0° |
H411 | C41 | H412 | H413 | 116.9° | 120.0° |