TG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C11 | sing | 1.53Å | 1.57Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C11 | C7 | sing | 1.53Å | 1.59Å | |
| C11 | C12 | sing | 1.52Å | 1.53Å | |
| C11 | O11 | sing | 1.43Å | 1.46Å | |
| C7 | C8 | sing | 1.49Å | 1.59Å | |
| C7 | C6 | sing | 1.51Å | 1.56Å | |
| C7 | O6 | sing | 1.43Å | 1.48Å | |
| C8 | C9 | sing | 1.51Å | 1.55Å | |
| C8 | O7 | sing | 1.45Å | 1.48Å | |
| C8 | HC8 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.58Å | |
| C9 | HC91 | sing | 1.09Å | 1.10Å | |
| C9 | HC92 | sing | 1.09Å | 1.10Å | |
| C10 | C1 | sing | 1.47Å | 1.61Å | |
| C10 | C31 | sing | 1.53Å | 1.57Å | |
| C10 | O9 | sing | 1.45Å | 1.49Å | |
| C1 | C2 | sing | 1.52Å | 1.58Å | |
| C1 | C5 | sing | 1.51Å | 1.52Å | |
| C1 | HC1 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | sing | 1.45Å | 1.45Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C2 | HC2 | sing | 1.09Å | 1.10Å | |
| O1 | C13 | sing | 1.34Å | 1.43Å | |
| C13 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.45Å | 1.51Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | HC3 | sing | 1.09Å | 1.10Å | |
| O3 | C21 | sing | 1.35Å | 1.34Å | |
| C21 | O4 | doub | 1.21Å | 1.33Å | |
| C21 | C22 | sing | 1.47Å | 1.58Å | |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C22 | C24 | doub | 1.33Å | 1.33Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C4 | C26 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.30Å | 1.36Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.57Å | |
| C6 | O5 | sing | 1.45Å | 1.45Å | |
| C6 | HC6 | sing | 1.09Å | 1.10Å | |
| O5 | C12 | sing | 1.36Å | 1.36Å | |
| C12 | O12 | doub | 1.21Å | 1.23Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| O9 | C32 | sing | 1.34Å | 1.35Å | |
| C32 | O10 | doub | 1.21Å | 1.22Å | |
| C32 | C33 | sing | 1.51Å | 1.47Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| O7 | C27 | sing | 1.34Å | 1.42Å | |
| C27 | O8 | doub | 1.21Å | 1.23Å | |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C34 | H341 | 109.5° | 109.5° |
| C11 | C34 | H342 | 109.5° | 109.5° |
| C11 | C34 | H343 | 109.5° | 109.5° |
| C34 | C11 | C7 | 113.0° | 110.6° |
| C34 | C11 | C12 | 114.3° | 110.6° |
| C34 | C11 | O11 | 109.2° | 110.5° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.4° |
| C7 | C11 | C12 | 100.0° | 103.8° |
| C7 | C11 | O11 | 119.8° | 110.6° |
| C11 | C7 | C8 | 114.3° | 115.5° |
| C11 | C7 | C6 | 96.5° | 103.5° |
| C11 | C7 | O6 | 110.1° | 107.4° |
| C12 | C11 | O11 | 99.6° | 110.7° |
| C11 | C12 | O5 | 109.9° | 108.2° |
| C11 | C12 | O12 | 124.1° | 125.9° |
| C11 | O11 | HO11 | 109.5° | 114.1° |
| C8 | C7 | C6 | 117.8° | 115.2° |
| C8 | C7 | O6 | 109.8° | 107.7° |
| C7 | C8 | C9 | 114.9° | 112.1° |
| C7 | C8 | O7 | 110.9° | 108.9° |
| C7 | C8 | HC8 | 106.2° | 109.0° |
| C6 | C7 | O6 | 107.4° | 107.0° |
| C7 | C6 | C5 | 125.5° | 109.7° |
| C7 | C6 | O5 | 100.5° | 105.1° |
| C7 | C6 | HC6 | 106.8° | 109.6° |
| C7 | O6 | HO6 | 109.5° | 114.0° |
| C9 | C8 | O7 | 113.9° | 108.9° |
| C9 | C8 | HC8 | 102.6° | 109.0° |
| C8 | C9 | C10 | 120.6° | 110.9° |
| C8 | C9 | HC91 | 105.9° | 109.2° |
| C8 | C9 | HC92 | 105.9° | 109.2° |
| O7 | C8 | HC8 | 107.3° | 108.9° |
| C8 | O7 | C27 | 120.9° | 117.0° |
| C10 | C9 | HC91 | 105.9° | 109.2° |
| C10 | C9 | HC92 | 105.9° | 109.1° |
| C9 | C10 | C1 | 120.0° | 114.3° |
| C9 | C10 | C31 | 108.2° | 108.5° |
| C9 | C10 | O9 | 103.4° | 108.5° |
| HC91 | C9 | HC92 | 112.7° | 109.2° |
| C1 | C10 | C31 | 114.0° | 108.5° |
| C1 | C10 | O9 | 111.3° | 108.5° |
| C10 | C1 | C2 | 113.6° | 118.0° |
| C10 | C1 | C5 | 113.0° | 117.3° |
| C10 | C1 | HC1 | 102.3° | 104.6° |
| C31 | C10 | O9 | 97.1° | 108.4° |
| C10 | C31 | H311 | 109.5° | 109.4° |
| C10 | C31 | H312 | 109.4° | 109.4° |
| C10 | C31 | H313 | 109.5° | 109.5° |
| C10 | O9 | C32 | 134.9° | 116.9° |
| C2 | C1 | C5 | 103.3° | 107.6° |
| C2 | C1 | HC1 | 112.2° | 104.0° |
| C1 | C2 | O1 | 112.3° | 110.8° |
| C1 | C2 | C3 | 107.4° | 102.9° |
| C1 | C2 | HC2 | 107.1° | 110.7° |
| C5 | C1 | HC1 | 112.8° | 103.4° |
| C1 | C5 | C4 | 111.4° | 110.6° |
| C1 | C5 | C6 | 119.6° | 122.0° |
| O1 | C2 | C3 | 102.8° | 110.7° |
| O1 | C2 | HC2 | 111.3° | 110.7° |
| C2 | O1 | C13 | 113.5° | 117.0° |
| C3 | C2 | HC2 | 116.0° | 110.9° |
| C2 | C3 | O3 | 99.7° | 110.1° |
| C2 | C3 | C4 | 103.6° | 106.2° |
| C2 | C3 | HC3 | 119.6° | 110.1° |
| O1 | C13 | O2 | 127.0° | 120.0° |
| O1 | C13 | C14 | 109.3° | 120.0° |
| O2 | C13 | C14 | 123.7° | 120.0° |
| C13 | C14 | C15 | 115.5° | 109.5° |
| C13 | C14 | H141 | 107.5° | 109.5° |
| C13 | C14 | H142 | 107.5° | 109.5° |
| C15 | C14 | H141 | 107.5° | 109.5° |
| C15 | C14 | H142 | 107.5° | 109.5° |
| C14 | C15 | C16 | 117.3° | 109.5° |
| C14 | C15 | H151 | 106.9° | 109.5° |
| C14 | C15 | H152 | 107.0° | 109.5° |
| H141 | C14 | H142 | 111.4° | 109.4° |
| C16 | C15 | H151 | 106.9° | 109.4° |
| C16 | C15 | H152 | 106.9° | 109.5° |
| C15 | C16 | C17 | 112.9° | 109.5° |
| C15 | C16 | H161 | 108.4° | 109.5° |
| C15 | C16 | H162 | 108.4° | 109.5° |
| H151 | C15 | H152 | 111.9° | 109.5° |
| C17 | C16 | H161 | 108.4° | 109.4° |
| C17 | C16 | H162 | 108.3° | 109.5° |
| C16 | C17 | C18 | 112.8° | 109.5° |
| C16 | C17 | H171 | 108.4° | 109.5° |
| C16 | C17 | H172 | 108.4° | 109.5° |
| H161 | C16 | H162 | 110.6° | 109.5° |
| C18 | C17 | H171 | 108.4° | 109.5° |
| C18 | C17 | H172 | 108.4° | 109.4° |
| C17 | C18 | C19 | 115.2° | 109.5° |
| C17 | C18 | H181 | 107.6° | 109.5° |
| C17 | C18 | H182 | 107.6° | 109.4° |
| H171 | C17 | H172 | 110.5° | 109.4° |
| C19 | C18 | H181 | 107.6° | 109.5° |
| C19 | C18 | H182 | 107.6° | 109.5° |
| C18 | C19 | C20 | 108.5° | 109.5° |
| C18 | C19 | H191 | 109.8° | 109.5° |
| C18 | C19 | H192 | 109.8° | 109.5° |
| H181 | C18 | H182 | 111.3° | 109.5° |
| C20 | C19 | H191 | 109.8° | 109.5° |
| C20 | C19 | H192 | 109.8° | 109.5° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.1° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| O3 | C3 | C4 | 111.5° | 110.1° |
| O3 | C3 | HC3 | 112.6° | 110.1° |
| C3 | O3 | C21 | 119.5° | 117.0° |
| C4 | C3 | HC3 | 109.2° | 110.2° |
| C3 | C4 | C26 | 118.3° | 124.0° |
| C3 | C4 | C5 | 112.9° | 111.9° |
| O3 | C21 | O4 | 124.9° | 120.0° |
| O3 | C21 | C22 | 113.4° | 120.0° |
| O4 | C21 | C22 | 120.1° | 120.0° |
| C21 | C22 | C23 | 109.3° | 120.0° |
| C21 | C22 | C24 | 132.7° | 120.0° |
| C23 | C22 | C24 | 117.9° | 120.0° |
| C22 | C23 | H231 | 109.5° | 109.4° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C22 | C24 | C25 | 130.4° | 120.0° |
| C22 | C24 | H24 | 114.8° | 120.1° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| C25 | C24 | H24 | 114.8° | 120.0° |
| C24 | C25 | H251 | 109.5° | 109.4° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| C26 | C4 | C5 | 128.6° | 124.1° |
| C4 | C26 | H261 | 109.5° | 109.5° |
| C4 | C26 | H262 | 109.5° | 109.5° |
| C4 | C26 | H263 | 109.5° | 109.4° |
| C4 | C5 | C6 | 128.7° | 127.1° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.4° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| C5 | C6 | O5 | 113.6° | 113.6° |
| C5 | C6 | HC6 | 91.4° | 109.6° |
| O5 | C6 | HC6 | 120.6° | 109.1° |
| C6 | O5 | C12 | 106.7° | 106.9° |
| O5 | C12 | O12 | 126.0° | 125.9° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| O9 | C32 | O10 | 126.1° | 120.0° |
| O9 | C32 | C33 | 109.7° | 120.0° |
| O10 | C32 | C33 | 124.2° | 120.0° |
| C32 | C33 | H331 | 109.5° | 109.4° |
| C32 | C33 | H332 | 109.5° | 109.4° |
| C32 | C33 | H333 | 109.5° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.5° |
| O7 | C27 | O8 | 128.5° | 120.0° |
| O7 | C27 | C28 | 108.4° | 120.0° |
| O8 | C27 | C28 | 122.9° | 120.0° |
| C27 | C28 | C29 | 109.5° | 109.4° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C29 | C28 | H281 | 109.5° | 109.5° |
| C29 | C28 | H282 | 109.4° | 109.5° |
| C28 | C29 | C30 | 106.4° | 109.4° |
| C28 | C29 | H291 | 110.5° | 109.5° |
| C28 | C29 | H292 | 110.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| C30 | C29 | H291 | 110.5° | 109.5° |
| C30 | C29 | H292 | 110.5° | 109.4° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.4° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| H291 | C29 | H292 | 108.4° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C34 | H341 | H342 | 120.0° | 120.0° |
| C11 | C34 | H341 | H343 | 120.0° | 120.0° |
| C11 | C34 | H342 | H343 | 120.0° | 120.0° |
| C34 | C11 | C7 | C12 | 121.9° | 118.6° |
| C34 | C11 | C7 | O11 | 130.9° | 122.7° |
| C34 | C11 | C12 | O11 | 116.2° | 122.7° |
| C34 | C11 | C7 | C8 | 76.5° | 108.6° |
| C34 | C11 | C7 | C6 | 158.9° | 124.6° |
| C34 | C11 | C7 | O6 | 47.6° | 11.6° |
| C34 | C11 | C12 | O5 | 134.0° | 102.4° |
| C34 | C11 | C12 | O12 | 46.5° | 77.5° |
| C34 | C11 | O11 | HO11 | 97.0° | 59.3° |
| H341 | C34 | H342 | H343 | 120.0° | 119.9° |
| H341 | C34 | C11 | C7 | 180.0° | 60.0° |
| H341 | C34 | C11 | C12 | 66.5° | 54.4° |
| H341 | C34 | C11 | O11 | 44.0° | 177.3° |
| H342 | C34 | C11 | C7 | 60.0° | 180.0° |
| H342 | C34 | C11 | C12 | 173.5° | 65.6° |
| H342 | C34 | C11 | O11 | 76.0° | 57.3° |
| H343 | C34 | C11 | C7 | 60.0° | 60.0° |
| H343 | C34 | C11 | C12 | 53.5° | 174.4° |
| H343 | C34 | C11 | O11 | 164.0° | 62.8° |
| C7 | C11 | C12 | O11 | 122.8° | 118.7° |
| C11 | C7 | C8 | C6 | 112.3° | 120.7° |
| C11 | C7 | C8 | O6 | 124.3° | 120.0° |
| C11 | C7 | C6 | O6 | 113.5° | 113.3° |
| C11 | C7 | C8 | C9 | 179.3° | 155.9° |
| C11 | C7 | C8 | O7 | 49.7° | 83.4° |
| C11 | C7 | C8 | HC8 | 66.6° | 35.2° |
| C11 | C7 | C6 | C5 | 178.8° | 147.1° |
| C11 | C7 | C6 | O5 | 49.7° | 24.6° |
| C11 | C7 | C6 | HC6 | 77.0° | 92.6° |
| C7 | C11 | C12 | O5 | 13.0° | 16.2° |
| C7 | C11 | C12 | O12 | 167.5° | 163.9° |
| C11 | C7 | O6 | HO6 | 180.0° | 61.5° |
| C7 | C11 | O11 | HO11 | 130.5° | 178.0° |
| C12 | C11 | C7 | C8 | 161.6° | 132.8° |
| C12 | C11 | C7 | C6 | 37.0° | 6.0° |
| C12 | C11 | C7 | O6 | 74.3° | 107.0° |
| C11 | C12 | O5 | C6 | 19.8° | 32.9° |
| C11 | C12 | O5 | O12 | 179.5° | 180.0° |
| C12 | C11 | O11 | HO11 | 23.0° | 63.5° |
| O11 | C11 | C7 | C8 | 54.4° | 14.1° |
| O11 | C11 | C7 | C6 | 70.2° | 112.8° |
| O11 | C11 | C7 | O6 | 178.5° | 134.3° |
| O11 | C11 | C12 | O5 | 109.8° | 134.8° |
| O11 | C11 | C12 | O12 | 69.7° | 45.2° |
| C8 | C7 | C6 | O6 | 124.6° | 119.7° |
| C7 | C8 | C9 | O7 | 129.5° | 120.7° |
| C7 | C8 | C9 | HC8 | 114.8° | 120.7° |
| C7 | C8 | O7 | HC8 | 115.6° | 118.7° |
| C7 | C8 | C9 | C10 | 53.9° | 64.2° |
| C7 | C8 | C9 | HC91 | 66.2° | 56.2° |
| C7 | C8 | C9 | HC92 | 173.9° | 175.5° |
| C8 | C7 | C6 | C5 | 59.3° | 85.9° |
| C8 | C7 | C6 | O5 | 171.6° | 151.7° |
| C8 | C7 | C6 | HC6 | 45.0° | 34.5° |
| C7 | C8 | O7 | C27 | 105.6° | 150.0° |
| C8 | C7 | O6 | HO6 | 53.2° | 63.6° |
| C6 | C7 | C8 | C9 | 68.4° | 83.4° |
| C6 | C7 | C8 | O7 | 62.6° | 37.2° |
| C6 | C7 | C8 | HC8 | 178.9° | 155.9° |
| C7 | C6 | C5 | C1 | 1.4° | 37.7° |
| C7 | C6 | C5 | C4 | 171.8° | 148.3° |
| C7 | C6 | C5 | O5 | 123.7° | 117.3° |
| C7 | C6 | C5 | HC6 | 111.9° | 120.4° |
| C7 | C6 | O5 | HC6 | 116.8° | 117.5° |
| C7 | C6 | O5 | C12 | 45.0° | 36.5° |
| C6 | C7 | O6 | HO6 | 76.1° | 172.0° |
| O6 | C7 | C8 | C9 | 55.0° | 35.9° |
| O6 | C7 | C8 | O7 | 174.0° | 156.5° |
| O6 | C7 | C8 | HC8 | 57.7° | 84.8° |
| O6 | C7 | C6 | C5 | 65.3° | 33.8° |
| O6 | C7 | C6 | O5 | 63.8° | 88.7° |
| O6 | C7 | C6 | HC6 | 169.6° | 154.2° |
| C9 | C8 | O7 | HC8 | 112.9° | 118.7° |
| C8 | C9 | C10 | HC91 | 120.0° | 120.3° |
| C8 | C9 | C10 | HC92 | 120.0° | 120.4° |
| C8 | C9 | HC91 | HC92 | 115.4° | 119.3° |
| C8 | C9 | C10 | C1 | 59.8° | 76.5° |
| C8 | C9 | C10 | C31 | 73.3° | 44.7° |
| C8 | C9 | C10 | O9 | 175.5° | 162.3° |
| C9 | C8 | O7 | C27 | 122.9° | 87.4° |
| O7 | C8 | C9 | C10 | 75.7° | 56.5° |
| O7 | C8 | C9 | HC91 | 164.3° | 176.8° |
| O7 | C8 | C9 | HC92 | 44.3° | 63.9° |
| C8 | O7 | C27 | O8 | 5.6° | 0.0° |
| C8 | O7 | C27 | C28 | 170.1° | 180.0° |
| HC8 | C8 | C9 | C10 | 168.6° | 175.1° |
| HC8 | C8 | C9 | HC91 | 48.6° | 64.6° |
| HC8 | C8 | C9 | HC92 | 71.4° | 54.7° |
| HC8 | C8 | O7 | C27 | 10.0° | 31.3° |
| C10 | C9 | HC91 | HC92 | 115.4° | 119.3° |
| C9 | C10 | C1 | C31 | 130.6° | 121.2° |
| C9 | C10 | C1 | O9 | 120.9° | 121.2° |
| C9 | C10 | C31 | O9 | 106.7° | 117.7° |
| C9 | C10 | C1 | C2 | 166.9° | 148.0° |
| C9 | C10 | C1 | C5 | 75.8° | 80.7° |
| C9 | C10 | C1 | HC1 | 45.8° | 33.1° |
| C9 | C10 | C31 | H311 | 180.0° | 71.9° |
| C9 | C10 | C31 | H312 | 60.0° | 168.1° |
| C9 | C10 | C31 | H313 | 60.0° | 48.1° |
| C9 | C10 | O9 | C32 | 70.0° | 60.0° |
| HC91 | C9 | C10 | C1 | 60.2° | 43.8° |
| HC91 | C9 | C10 | C31 | 166.7° | 165.0° |
| HC91 | C9 | C10 | O9 | 64.5° | 77.4° |
| HC92 | C9 | C10 | C1 | 179.8° | 163.1° |
| HC92 | C9 | C10 | C31 | 46.7° | 75.7° |
| HC92 | C9 | C10 | O9 | 55.5° | 41.9° |
| C1 | C10 | C31 | O9 | 117.1° | 117.6° |
| C10 | C1 | C2 | C5 | 122.8° | 135.6° |
| C10 | C1 | C2 | HC1 | 115.4° | 115.3° |
| C10 | C1 | C5 | HC1 | 115.5° | 114.4° |
| C10 | C1 | C2 | O1 | 136.6° | 97.7° |
| C10 | C1 | C2 | C3 | 111.1° | 144.0° |
| C10 | C1 | C2 | HC2 | 14.1° | 25.5° |
| C10 | C1 | C5 | C4 | 115.4° | 143.8° |
| C10 | C1 | C5 | C6 | 58.8° | 31.1° |
| C1 | C10 | C31 | H311 | 43.8° | 52.8° |
| C1 | C10 | C31 | H312 | 163.8° | 67.2° |
| C1 | C10 | C31 | H313 | 76.2° | 172.8° |
| C1 | C10 | O9 | C32 | 60.2° | 175.3° |
| C31 | C10 | C1 | C2 | 62.5° | 90.8° |
| C31 | C10 | C1 | C5 | 54.8° | 40.6° |
| C31 | C10 | C1 | HC1 | 176.4° | 154.3° |
| C10 | C31 | H311 | H312 | 120.0° | 120.0° |
| C10 | C31 | H311 | H313 | 120.0° | 120.0° |
| C10 | C31 | H312 | H313 | 120.0° | 120.0° |
| C31 | C10 | O9 | C32 | 179.4° | 57.6° |
| O9 | C10 | C1 | C2 | 46.1° | 26.7° |
| O9 | C10 | C1 | C5 | 163.4° | 158.1° |
| O9 | C10 | C1 | HC1 | 75.1° | 88.2° |
| O9 | C10 | C31 | H311 | 73.3° | 170.4° |
| O9 | C10 | C31 | H312 | 46.7° | 50.4° |
| O9 | C10 | C31 | H313 | 166.7° | 69.6° |
| C10 | O9 | C32 | O10 | 13.7° | 0.0° |
| C10 | O9 | C32 | C33 | 167.9° | 180.0° |
| C2 | C1 | C5 | HC1 | 121.3° | 109.6° |
| C1 | C2 | O1 | C3 | 115.1° | 113.4° |
| C1 | C2 | O1 | HC2 | 120.1° | 123.2° |
| C1 | C2 | C3 | HC2 | 119.7° | 118.4° |
| C1 | C2 | O1 | C13 | 147.8° | 150.0° |
| C1 | C2 | C3 | O3 | 103.9° | 125.6° |
| C1 | C2 | C3 | C4 | 11.2° | 6.4° |
| C1 | C2 | C3 | HC3 | 133.0° | 112.9° |
| C2 | C1 | C5 | C4 | 7.8° | 7.9° |
| C2 | C1 | C5 | C6 | 177.9° | 167.0° |
| C5 | C1 | C2 | O1 | 100.6° | 126.7° |
| C5 | C1 | C2 | C3 | 11.7° | 8.4° |
| C5 | C1 | C2 | HC2 | 136.9° | 110.1° |
| C1 | C5 | C4 | C3 | 0.8° | 3.6° |
| C1 | C5 | C4 | C26 | 173.9° | 176.4° |
| C1 | C5 | C4 | C6 | 173.6° | 174.6° |
| C1 | C5 | C6 | O5 | 122.3° | 155.0° |
| C1 | C5 | C6 | HC6 | 113.2° | 82.7° |
| HC1 | C1 | C2 | O1 | 21.1° | 17.5° |
| HC1 | C1 | C2 | C3 | 133.4° | 100.8° |
| HC1 | C1 | C2 | HC2 | 101.4° | 140.7° |
| HC1 | C1 | C5 | C4 | 129.1° | 101.7° |
| HC1 | C1 | C5 | C6 | 56.6° | 83.3° |
| O1 | C2 | C3 | HC2 | 121.7° | 123.3° |
| C2 | O1 | C13 | O2 | 17.0° | 0.0° |
| C2 | O1 | C13 | C14 | 160.7° | 180.0° |
| O1 | C2 | C3 | O3 | 137.5° | 116.1° |
| O1 | C2 | C3 | C4 | 107.4° | 124.8° |
| O1 | C2 | C3 | HC3 | 14.4° | 5.5° |
| C3 | C2 | O1 | C13 | 97.1° | 96.6° |
| C2 | C3 | O3 | C4 | 108.9° | 116.8° |
| C2 | C3 | O3 | HC3 | 127.9° | 121.6° |
| C2 | C3 | C4 | HC3 | 128.5° | 119.2° |
| C2 | C3 | O3 | C21 | 140.8° | 150.0° |
| C2 | C3 | C4 | C26 | 177.9° | 178.0° |
| C2 | C3 | C4 | C5 | 6.8° | 2.0° |
| HC2 | C2 | O1 | C13 | 27.7° | 26.8° |
| HC2 | C2 | C3 | O3 | 15.8° | 7.2° |
| HC2 | C2 | C3 | C4 | 130.9° | 112.0° |
| HC2 | C2 | C3 | HC3 | 107.3° | 128.8° |
| O1 | C13 | O2 | C14 | 177.4° | 180.0° |
| O1 | C13 | C14 | C15 | 131.7° | 180.0° |
| O1 | C13 | C14 | H141 | 11.7° | 60.0° |
| O1 | C13 | C14 | H142 | 108.3° | 60.0° |
| O2 | C13 | C14 | C15 | 46.2° | 0.0° |
| O2 | C13 | C14 | H141 | 166.1° | 120.0° |
| O2 | C13 | C14 | H142 | 73.8° | 120.0° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 117.5° | 120.0° |
| C13 | C14 | C15 | C16 | 71.3° | 180.0° |
| C13 | C14 | C15 | H151 | 48.7° | 60.0° |
| C13 | C14 | C15 | H152 | 168.7° | 60.0° |
| C15 | C14 | H141 | H142 | 117.6° | 120.0° |
| C14 | C15 | C16 | H151 | 120.0° | 120.0° |
| C14 | C15 | C16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 116.8° | 120.0° |
| C14 | C15 | C16 | C17 | 136.6° | NaN° |
| C14 | C15 | C16 | H161 | 103.4° | 60.1° |
| C14 | C15 | C16 | H162 | 16.6° | 60.0° |
| H141 | C14 | C15 | C16 | 168.7° | 60.0° |
| H141 | C14 | C15 | H151 | 71.3° | 180.0° |
| H141 | C14 | C15 | H152 | 48.7° | 60.0° |
| H142 | C14 | C15 | C16 | 48.7° | 59.9° |
| H142 | C14 | C15 | H151 | 168.7° | 60.0° |
| H142 | C14 | C15 | H152 | 71.3° | 180.0° |
| C16 | C15 | H151 | H152 | 116.8° | 120.0° |
| C15 | C16 | C17 | H161 | 120.0° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 118.6° | 120.1° |
| C15 | C16 | C17 | C18 | 107.2° | 180.0° |
| C15 | C16 | C17 | H171 | 132.7° | 60.0° |
| C15 | C16 | C17 | H172 | 12.8° | 60.0° |
| H151 | C15 | C16 | C17 | 16.6° | 60.0° |
| H151 | C15 | C16 | H161 | 136.6° | 180.0° |
| H151 | C15 | C16 | H162 | 103.4° | 60.0° |
| H152 | C15 | C16 | C17 | 103.4° | 60.0° |
| H152 | C15 | C16 | H161 | 16.6° | 60.0° |
| H152 | C15 | C16 | H162 | 136.6° | 180.0° |
| C17 | C16 | H161 | H162 | 118.6° | 120.0° |
| C16 | C17 | C18 | H171 | 120.0° | 120.1° |
| C16 | C17 | C18 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 118.6° | 120.0° |
| C16 | C17 | C18 | C19 | 129.2° | 180.0° |
| C16 | C17 | C18 | H181 | 110.8° | 60.0° |
| C16 | C17 | C18 | H182 | 9.2° | 60.0° |
| H161 | C16 | C17 | C18 | 12.8° | 60.0° |
| H161 | C16 | C17 | H171 | 107.3° | 179.9° |
| H161 | C16 | C17 | H172 | 132.8° | 60.0° |
| H162 | C16 | C17 | C18 | 132.7° | 60.0° |
| H162 | C16 | C17 | H171 | 12.7° | 60.0° |
| H162 | C16 | C17 | H172 | 107.3° | 180.0° |
| C18 | C17 | H171 | H172 | 118.6° | 119.9° |
| C17 | C18 | C19 | H181 | 120.0° | 120.0° |
| C17 | C18 | C19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 117.7° | 119.9° |
| C17 | C18 | C19 | C20 | 98.6° | 180.0° |
| C17 | C18 | C19 | H191 | 21.5° | 60.0° |
| C17 | C18 | C19 | H192 | 141.4° | 60.0° |
| H171 | C17 | C18 | C19 | 9.2° | 59.9° |
| H171 | C17 | C18 | H181 | 129.2° | 180.0° |
| H171 | C17 | C18 | H182 | 110.8° | 60.1° |
| H172 | C17 | C18 | C19 | 110.8° | 60.0° |
| H172 | C17 | C18 | H181 | 9.2° | 60.1° |
| H172 | C17 | C18 | H182 | 129.2° | 180.0° |
| C19 | C18 | H181 | H182 | 117.7° | 120.0° |
| C18 | C19 | C20 | H191 | 120.0° | 120.0° |
| C18 | C19 | C20 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H192 | 120.4° | 120.0° |
| C18 | C19 | C20 | H201 | 180.0° | 60.0° |
| C18 | C19 | C20 | H202 | 60.0° | 60.0° |
| C18 | C19 | C20 | H203 | 60.0° | 180.0° |
| H181 | C18 | C19 | C20 | 141.4° | 60.0° |
| H181 | C18 | C19 | H191 | 98.5° | 180.0° |
| H181 | C18 | C19 | H192 | 21.4° | 60.0° |
| H182 | C18 | C19 | C20 | 21.4° | 60.0° |
| H182 | C18 | C19 | H191 | 141.4° | 60.0° |
| H182 | C18 | C19 | H192 | 98.6° | 180.0° |
| C20 | C19 | H191 | H192 | 120.4° | 120.0° |
| C19 | C20 | H201 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H203 | 120.0° | 120.0° |
| C19 | C20 | H202 | H203 | 120.0° | 120.0° |
| H191 | C19 | C20 | H201 | 60.0° | 180.0° |
| H191 | C19 | C20 | H202 | 180.0° | 60.0° |
| H191 | C19 | C20 | H203 | 60.0° | 60.0° |
| H192 | C19 | C20 | H201 | 60.0° | 60.0° |
| H192 | C19 | C20 | H202 | 60.0° | 180.0° |
| H192 | C19 | C20 | H203 | 180.0° | 60.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| O3 | C3 | C4 | HC3 | 125.1° | 121.6° |
| C3 | O3 | C21 | O4 | 14.6° | 0.0° |
| C3 | O3 | C21 | C22 | 150.6° | 180.0° |
| O3 | C3 | C4 | C26 | 75.7° | 58.8° |
| O3 | C3 | C4 | C5 | 99.6° | 121.2° |
| C4 | C3 | O3 | C21 | 110.3° | 93.2° |
| C3 | C4 | C26 | C5 | 174.4° | 180.0° |
| C3 | C4 | C26 | H261 | 180.0° | 0.1° |
| C3 | C4 | C26 | H262 | 60.0° | 120.0° |
| C3 | C4 | C26 | H263 | 60.0° | 120.0° |
| C3 | C4 | C5 | C6 | 174.4° | 171.0° |
| HC3 | C3 | O3 | C21 | 12.9° | 28.4° |
| HC3 | C3 | C4 | C26 | 49.4° | 62.8° |
| HC3 | C3 | C4 | C5 | 135.3° | 117.2° |
| O3 | C21 | O4 | C22 | 164.3° | 180.0° |
| O3 | C21 | C22 | C23 | 93.8° | 0.1° |
| O3 | C21 | C22 | C24 | 88.2° | 180.0° |
| O4 | C21 | C22 | C23 | 72.2° | 180.0° |
| O4 | C21 | C22 | C24 | 105.9° | 0.1° |
| C21 | C22 | C23 | C24 | 178.4° | 179.9° |
| C21 | C22 | C23 | H231 | 180.0° | 90.0° |
| C21 | C22 | C23 | H232 | 60.0° | 150.0° |
| C21 | C22 | C23 | H233 | 60.0° | 30.0° |
| C21 | C22 | C24 | C25 | 1.9° | 0.1° |
| C21 | C22 | C24 | H24 | 178.1° | 180.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H232 | H233 | 120.0° | 120.1° |
| C23 | C22 | C24 | C25 | 179.9° | 180.0° |
| C23 | C22 | C24 | H24 | 0.1° | 0.1° |
| C24 | C22 | C23 | H231 | 1.6° | 90.1° |
| C24 | C22 | C23 | H232 | 118.4° | 29.9° |
| C24 | C22 | C23 | H233 | 121.6° | 149.9° |
| C22 | C24 | C25 | H24 | 180.0° | 179.9° |
| C22 | C24 | C25 | H251 | 180.0° | 180.0° |
| C22 | C24 | C25 | H252 | 60.0° | 59.9° |
| C22 | C24 | C25 | H253 | 60.0° | 60.1° |
| H231 | C23 | H232 | H233 | 119.9° | 120.0° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| H24 | C24 | C25 | H251 | 0.0° | 0.1° |
| H24 | C24 | C25 | H252 | 120.0° | 120.0° |
| H24 | C24 | C25 | H253 | 120.0° | 120.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| C4 | C26 | H261 | H262 | 120.0° | 120.0° |
| C4 | C26 | H261 | H263 | 120.0° | 119.9° |
| C4 | C26 | H262 | H263 | 120.0° | 119.9° |
| C26 | C4 | C5 | C6 | 0.3° | 9.0° |
| C5 | C4 | C26 | H261 | 5.5° | 179.9° |
| C5 | C4 | C26 | H262 | 125.6° | 60.0° |
| C5 | C4 | C26 | H263 | 114.4° | 60.0° |
| C4 | C5 | C6 | O5 | 64.6° | 31.0° |
| C4 | C5 | C6 | HC6 | 59.9° | 91.4° |
| H261 | C26 | H262 | H263 | 119.9° | 120.0° |
| C5 | C6 | O5 | HC6 | 106.8° | 122.6° |
| C5 | C6 | O5 | C12 | 178.6° | 156.4° |
| C6 | O5 | C12 | O12 | 159.7° | 147.1° |
| HC6 | C6 | O5 | C12 | 71.8° | 81.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.1° |
| O9 | C32 | O10 | C33 | 178.3° | 180.0° |
| O9 | C32 | C33 | H331 | 178.5° | 0.0° |
| O9 | C32 | C33 | H332 | 61.5° | 120.0° |
| O9 | C32 | C33 | H333 | 58.5° | 120.0° |
| O10 | C32 | C33 | H331 | 0.0° | 180.0° |
| O10 | C32 | C33 | H332 | 120.0° | 60.0° |
| O10 | C32 | C33 | H333 | 120.0° | 60.0° |
| C32 | C33 | H331 | H332 | 120.0° | 119.9° |
| C32 | C33 | H331 | H333 | 120.0° | 120.0° |
| C32 | C33 | H332 | H333 | 120.0° | 119.9° |
| H331 | C33 | H332 | H333 | 120.0° | 120.1° |
| O7 | C27 | O8 | C28 | 175.2° | 180.0° |
| O7 | C27 | C28 | C29 | 131.2° | 180.0° |
| O7 | C27 | C28 | H281 | 108.8° | 60.0° |
| O7 | C27 | C28 | H282 | 11.3° | 60.0° |
| O8 | C27 | C28 | C29 | 52.7° | 0.0° |
| O8 | C27 | C28 | H281 | 67.3° | 120.0° |
| O8 | C27 | C28 | H282 | 172.7° | 120.0° |
| C27 | C28 | C29 | H281 | 120.0° | 120.0° |
| C27 | C28 | C29 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | C29 | C30 | 156.1° | 180.0° |
| C27 | C28 | C29 | H291 | 83.9° | 60.0° |
| C27 | C28 | C29 | H292 | 36.2° | 60.0° |
| C29 | C28 | H281 | H282 | 120.0° | 120.0° |
| C28 | C29 | C30 | H291 | 120.0° | 120.0° |
| C28 | C29 | C30 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H292 | 121.2° | 120.0° |
| C28 | C29 | C30 | H301 | 180.0° | 60.0° |
| C28 | C29 | C30 | H302 | 60.0° | 60.0° |
| C28 | C29 | C30 | H303 | 60.0° | 180.0° |
| H281 | C28 | C29 | C30 | 36.1° | 60.0° |
| H281 | C28 | C29 | H291 | 156.1° | 180.0° |
| H281 | C28 | C29 | H292 | 83.8° | 60.0° |
| H282 | C28 | C29 | C30 | 83.9° | 60.1° |
| H282 | C28 | C29 | H291 | 36.1° | 60.0° |
| H282 | C28 | C29 | H292 | 156.1° | 180.0° |
| C30 | C29 | H291 | H292 | 121.3° | 120.0° |
| C29 | C30 | H301 | H302 | 120.0° | 120.0° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| C29 | C30 | H302 | H303 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 60.0° | 180.0° |
| H291 | C29 | C30 | H302 | 180.0° | 60.0° |
| H291 | C29 | C30 | H303 | 60.0° | 60.0° |
| H292 | C29 | C30 | H301 | 60.0° | 60.0° |
| H292 | C29 | C30 | H302 | 60.0° | 180.0° |
| H292 | C29 | C30 | H303 | 180.0° | 60.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
