EGC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.42Å | 1.42Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | O4 | sing | 1.42Å | 1.43Å | |
| C3 | H31A | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O4 | C5 | sing | 1.42Å | 1.43Å | |
| C5 | C6 | sing | 1.52Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | O7 | sing | 1.42Å | 1.44Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O7 | C8 | sing | 1.42Å | 1.44Å | |
| C8 | C9 | sing | 1.52Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | O10 | sing | 1.42Å | 1.43Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| O10 | C11 | sing | 1.42Å | 1.43Å | |
| C11 | C12 | sing | 1.52Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | O13 | sing | 1.42Å | 78.59Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.52Å | 0.00Å | |
| C14 | O13 | sing | 1.42Å | 0.00Å | |
| C14 | H141 | sing | 1.09Å | 0.00Å | |
| C14 | H142 | sing | 1.09Å | 0.00Å | |
| C15 | O16 | sing | 1.42Å | 0.00Å | |
| C15 | H151 | sing | 1.09Å | 0.00Å | |
| C15 | H152 | sing | 1.09Å | 0.00Å | |
| C17 | C18 | sing | 1.52Å | 0.00Å | |
| C17 | O16 | sing | 1.42Å | 0.00Å | |
| C17 | H171 | sing | 1.09Å | 0.00Å | |
| C17 | H172 | sing | 1.09Å | 0.00Å | |
| C18 | O19 | sing | 1.42Å | 0.00Å | |
| C18 | H181 | sing | 1.09Å | 0.00Å | |
| C18 | H182 | sing | 1.09Å | 0.00Å | |
| C20 | C21 | sing | 1.52Å | 0.00Å | |
| C20 | O19 | sing | 1.42Å | 0.00Å | |
| C20 | H201 | sing | 1.09Å | 0.00Å | |
| C20 | H202 | sing | 1.09Å | 0.00Å | |
| C21 | O22 | sing | 1.42Å | 0.00Å | |
| C21 | H211 | sing | 1.09Å | 0.00Å | |
| C21 | H212 | sing | 1.09Å | 0.00Å | |
| C23 | C24 | sing | 1.52Å | 0.00Å | |
| C23 | O22 | sing | 1.42Å | 0.00Å | |
| C23 | H231 | sing | 1.09Å | 0.00Å | |
| C23 | H232 | sing | 1.09Å | 0.00Å | |
| C24 | O25 | sing | 1.42Å | 0.00Å | |
| C24 | H241 | sing | 1.09Å | 0.00Å | |
| C24 | H242 | sing | 1.09Å | 0.00Å | |
| C26 | C27 | sing | 1.52Å | 0.00Å | |
| C26 | O25 | sing | 1.42Å | 0.00Å | |
| C26 | H261 | sing | 1.09Å | 0.00Å | |
| C26 | H262 | sing | 1.09Å | 0.00Å | |
| C27 | O28 | sing | 1.43Å | 0.00Å | |
| C27 | H271 | sing | 1.09Å | 0.00Å | |
| C27 | H272 | sing | 1.09Å | 0.00Å | |
| C29 | C30 | doub | 1.39Å | 0.00Å | Aromatic |
| C29 | C34 | sing | 1.39Å | 0.00Å | Aromatic |
| C29 | O28 | sing | 1.36Å | 0.00Å | |
| C30 | C31 | sing | 1.40Å | 0.00Å | Aromatic |
| C30 | H30 | sing | 1.09Å | 0.00Å | |
| C31 | C32 | doub | 1.37Å | 0.00Å | Aromatic |
| C31 | H31 | sing | 1.09Å | 0.00Å | |
| C32 | C33 | sing | 1.37Å | 0.00Å | Aromatic |
| C32 | C35 | sing | 1.54Å | 0.00Å | |
| C33 | C34 | doub | 1.39Å | 0.00Å | Aromatic |
| C33 | H33 | sing | 1.09Å | 0.00Å | |
| C34 | H34 | sing | 1.09Å | 0.00Å | |
| C35 | C36 | sing | 1.56Å | 0.00Å | |
| C35 | C37 | sing | 1.54Å | 0.00Å | |
| C35 | C38 | sing | 1.57Å | 0.00Å | |
| C36 | H361 | sing | 1.10Å | 0.00Å | |
| C36 | H362 | sing | 1.10Å | 0.00Å | |
| C36 | H363 | sing | 1.10Å | 0.00Å | |
| C37 | H371 | sing | 1.10Å | 0.00Å | |
| C37 | H372 | sing | 1.10Å | 0.00Å | |
| C37 | H373 | sing | 1.09Å | 0.00Å | |
| C38 | C39 | sing | 1.56Å | 0.00Å | |
| C38 | H381 | sing | 1.10Å | 0.00Å | |
| C38 | H382 | sing | 1.10Å | 0.00Å | |
| C39 | C40 | sing | 1.55Å | 0.00Å | |
| C39 | C41 | sing | 1.54Å | 0.00Å | |
| C39 | C42 | sing | 1.53Å | 0.00Å | |
| C40 | H401 | sing | 1.10Å | 0.00Å | |
| C40 | H402 | sing | 1.10Å | 0.00Å | |
| C40 | H403 | sing | 1.10Å | 0.00Å | |
| C41 | H411 | sing | 1.10Å | 0.00Å | |
| C41 | H412 | sing | 1.10Å | 0.00Å | |
| C41 | H413 | sing | 1.09Å | 0.00Å | |
| C42 | H421 | sing | 1.10Å | 0.00Å | |
| C42 | H422 | sing | 1.10Å | 0.00Å | |
| C42 | H423 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | H1 | 109.5° | 106.7° |
| O1 | C2 | C3 | 110.1° | 109.1° |
| O1 | C2 | H21 | 109.3° | 108.2° |
| O1 | C2 | H22 | 109.1° | 108.2° |
| C3 | C2 | H21 | 109.2° | 111.1° |
| C3 | C2 | H22 | 109.1° | 110.5° |
| C2 | C3 | O4 | 109.7° | 109.0° |
| C2 | C3 | H31A | 109.4° | 111.1° |
| C2 | C3 | H32 | 109.4° | 110.5° |
| H21 | C2 | H22 | 110.0° | 109.7° |
| O4 | C3 | H31A | 109.4° | 108.2° |
| O4 | C3 | H32 | 109.3° | 108.3° |
| C3 | O4 | C5 | 112.1° | 111.5° |
| H31A | C3 | H32 | 109.6° | 109.7° |
| O4 | C5 | C6 | 110.2° | 109.1° |
| O4 | C5 | H51 | 109.2° | 108.2° |
| O4 | C5 | H52 | 109.1° | 108.2° |
| C6 | C5 | H51 | 109.2° | 111.2° |
| C6 | C5 | H52 | 109.1° | 110.5° |
| C5 | C6 | O7 | 110.0° | 109.0° |
| C5 | C6 | H61 | 109.3° | 111.1° |
| C5 | C6 | H62 | 109.2° | 110.5° |
| H51 | C5 | H52 | 110.1° | 109.7° |
| O7 | C6 | H61 | 109.3° | 108.2° |
| O7 | C6 | H62 | 109.2° | 108.3° |
| C6 | O7 | C8 | 112.4° | 111.5° |
| H61 | C6 | H62 | 109.9° | 109.7° |
| O7 | C8 | C9 | 110.2° | 109.0° |
| O7 | C8 | H81 | 109.2° | 108.2° |
| O7 | C8 | H82 | 109.1° | 108.3° |
| C9 | C8 | H81 | 109.3° | 111.1° |
| C9 | C8 | H82 | 109.1° | 110.5° |
| C8 | C9 | O10 | 109.9° | 109.1° |
| C8 | C9 | H91 | 109.3° | 111.2° |
| C8 | C9 | H92 | 109.2° | 110.5° |
| H81 | C8 | H82 | 110.0° | 109.7° |
| O10 | C9 | H91 | 109.3° | 108.1° |
| O10 | C9 | H92 | 109.2° | 108.2° |
| C9 | O10 | C11 | 112.2° | 111.5° |
| H91 | C9 | H92 | 109.9° | 109.6° |
| O10 | C11 | C12 | 110.1° | 109.0° |
| O10 | C11 | H111 | 109.3° | 108.2° |
| O10 | C11 | H112 | 109.2° | 108.2° |
| C12 | C11 | H111 | 109.3° | 111.2° |
| C12 | C11 | H112 | 109.2° | 110.5° |
| C11 | C12 | O13 | 30.5° | 109.0° |
| C11 | C12 | H121 | 151.4° | 111.1° |
| C11 | C12 | H122 | 153.4° | 110.5° |
| H111 | C11 | H112 | 109.9° | 109.7° |
| O13 | C12 | H121 | 151.4° | 108.2° |
| O13 | C12 | H122 | 153.4° | 108.2° |
| C12 | O13 | C14 | 90.0° | 111.5° |
| H121 | C12 | H122 | 46.6° | 109.7° |
| C15 | C14 | O13 | 90.0° | 109.0° |
| C15 | C14 | H141 | 90.0° | 111.1° |
| C15 | C14 | H142 | 90.0° | 110.5° |
| C14 | C15 | O16 | 90.0° | 109.1° |
| C14 | C15 | H151 | 90.0° | 111.1° |
| C14 | C15 | H152 | 90.0° | 110.5° |
| O13 | C14 | H141 | 90.0° | 108.1° |
| O13 | C14 | H142 | 90.0° | 108.3° |
| H141 | C14 | H142 | 90.0° | 109.7° |
| O16 | C15 | H151 | 90.0° | 108.2° |
| O16 | C15 | H152 | 90.0° | 108.3° |
| C15 | O16 | C17 | 90.0° | 111.5° |
| H151 | C15 | H152 | 90.0° | 109.7° |
| C18 | C17 | O16 | 90.0° | 109.0° |
| C18 | C17 | H171 | 90.0° | 111.2° |
| C18 | C17 | H172 | 90.0° | 110.5° |
| C17 | C18 | O19 | 90.0° | 109.1° |
| C17 | C18 | H181 | 90.0° | 111.1° |
| C17 | C18 | H182 | 90.0° | 110.5° |
| O16 | C17 | H171 | 90.0° | 108.1° |
| O16 | C17 | H172 | 90.0° | 108.3° |
| H171 | C17 | H172 | 90.0° | 109.7° |
| O19 | C18 | H181 | 90.0° | 108.1° |
| O19 | C18 | H182 | 90.0° | 108.2° |
| C18 | O19 | C20 | 90.0° | 111.5° |
| H181 | C18 | H182 | 90.0° | 109.7° |
| C21 | C20 | O19 | 90.0° | 109.0° |
| C21 | C20 | H201 | 90.0° | 111.2° |
| C21 | C20 | H202 | 90.0° | 110.5° |
| C20 | C21 | O22 | 90.0° | 109.0° |
| C20 | C21 | H211 | 90.0° | 111.1° |
| C20 | C21 | H212 | 90.0° | 110.5° |
| O19 | C20 | H201 | 90.0° | 108.1° |
| O19 | C20 | H202 | 90.0° | 108.3° |
| H201 | C20 | H202 | 90.0° | 109.7° |
| O22 | C21 | H211 | 90.0° | 108.1° |
| O22 | C21 | H212 | 90.0° | 108.2° |
| C21 | O22 | C23 | 90.0° | 111.5° |
| H211 | C21 | H212 | 90.0° | 109.7° |
| C24 | C23 | O22 | 90.0° | 109.1° |
| C24 | C23 | H231 | 90.0° | 111.2° |
| C24 | C23 | H232 | 90.0° | 110.4° |
| C23 | C24 | O25 | 90.0° | 109.0° |
| C23 | C24 | H241 | 90.0° | 111.1° |
| C23 | C24 | H242 | 90.0° | 110.5° |
| O22 | C23 | H231 | 90.0° | 108.1° |
| O22 | C23 | H232 | 90.0° | 108.3° |
| H231 | C23 | H232 | 90.0° | 109.7° |
| O25 | C24 | H241 | 90.0° | 108.1° |
| O25 | C24 | H242 | 90.0° | 108.2° |
| C24 | O25 | C26 | 90.0° | 111.5° |
| H241 | C24 | H242 | 90.0° | 109.8° |
| C27 | C26 | O25 | 90.0° | 109.1° |
| C27 | C26 | H261 | 90.0° | 111.2° |
| C27 | C26 | H262 | 90.0° | 110.5° |
| C26 | C27 | O28 | 90.0° | 109.0° |
| C26 | C27 | H271 | 90.0° | 111.2° |
| C26 | C27 | H272 | 90.0° | 110.5° |
| O25 | C26 | H261 | 90.0° | 108.1° |
| O25 | C26 | H262 | 90.0° | 108.2° |
| H261 | C26 | H262 | 90.0° | 109.7° |
| O28 | C27 | H271 | 90.0° | 108.2° |
| O28 | C27 | H272 | 90.0° | 108.2° |
| C27 | O28 | C29 | 90.0° | 117.1° |
| H271 | C27 | H272 | 90.0° | 109.7° |
| C30 | C29 | C34 | 90.0° | 120.0° |
| C30 | C29 | O28 | 90.0° | 120.0° |
| C29 | C30 | C31 | 90.0° | 120.0° |
| C29 | C30 | H30 | 90.0° | 120.4° |
| C34 | C29 | O28 | 90.0° | 120.0° |
| C29 | C34 | C33 | 90.0° | 120.0° |
| C29 | C34 | H34 | 90.0° | 120.3° |
| C31 | C30 | H30 | 90.0° | 119.6° |
| C30 | C31 | C32 | 90.0° | 118.1° |
| C30 | C31 | H31 | 90.0° | 119.5° |
| C32 | C31 | H31 | 90.0° | 122.4° |
| C31 | C32 | C33 | 90.0° | 123.7° |
| C31 | C32 | C35 | 90.0° | 118.2° |
| C33 | C32 | C35 | 90.0° | 118.2° |
| C32 | C33 | C34 | 90.0° | 118.2° |
| C32 | C33 | H33 | 90.0° | 122.3° |
| C32 | C35 | C36 | 90.0° | 106.5° |
| C32 | C35 | C37 | 90.0° | 113.8° |
| C32 | C35 | C38 | 90.0° | 113.0° |
| C34 | C33 | H33 | 90.0° | 119.5° |
| C33 | C34 | H34 | 90.0° | 119.7° |
| C36 | C35 | C37 | 90.0° | 105.5° |
| C36 | C35 | C38 | 90.0° | 106.9° |
| C35 | C36 | H361 | 90.0° | 112.1° |
| C35 | C36 | H362 | 90.0° | 111.4° |
| C35 | C36 | H363 | 90.0° | 111.2° |
| C37 | C35 | C38 | 90.0° | 110.5° |
| C35 | C37 | H371 | 90.0° | 111.5° |
| C35 | C37 | H372 | 90.0° | 111.2° |
| C35 | C37 | H373 | 90.0° | 112.3° |
| C35 | C38 | C39 | 90.0° | 122.5° |
| C35 | C38 | H381 | 90.0° | 107.3° |
| C35 | C38 | H382 | 90.0° | 107.8° |
| H361 | C36 | H362 | 90.0° | 107.3° |
| H361 | C36 | H363 | 90.0° | 107.1° |
| H362 | C36 | H363 | 90.0° | 107.5° |
| H371 | C37 | H372 | 90.0° | 106.7° |
| H371 | C37 | H373 | 90.0° | 106.8° |
| H372 | C37 | H373 | 90.0° | 108.0° |
| C39 | C38 | H381 | 90.0° | 106.5° |
| C39 | C38 | H382 | 90.0° | 107.4° |
| C38 | C39 | C40 | 90.0° | 107.1° |
| C38 | C39 | C41 | 90.0° | 111.9° |
| C38 | C39 | C42 | 90.0° | 114.0° |
| H381 | C38 | H382 | 90.0° | 103.8° |
| C40 | C39 | C41 | 90.0° | 106.7° |
| C40 | C39 | C42 | 90.0° | 107.6° |
| C39 | C40 | H401 | 90.0° | 111.2° |
| C39 | C40 | H402 | 90.0° | 111.1° |
| C39 | C40 | H403 | 90.0° | 111.5° |
| C41 | C39 | C42 | 90.0° | 109.2° |
| C39 | C41 | H411 | 90.0° | 111.3° |
| C39 | C41 | H412 | 90.0° | 110.9° |
| C39 | C41 | H413 | 90.0° | 112.6° |
| C39 | C42 | H421 | 90.0° | 110.9° |
| C39 | C42 | H422 | 90.0° | 111.4° |
| C39 | C42 | H423 | 90.0° | 111.9° |
| H401 | C40 | H402 | 90.0° | 107.8° |
| H401 | C40 | H403 | 90.0° | 107.4° |
| H402 | C40 | H403 | 90.0° | 107.6° |
| H411 | C41 | H412 | 90.0° | 107.3° |
| H411 | C41 | H413 | 90.0° | 108.1° |
| H412 | C41 | H413 | 90.0° | 106.3° |
| H421 | C42 | H422 | 90.0° | 107.0° |
| H421 | C42 | H423 | 90.0° | 106.6° |
| H422 | C42 | H423 | 90.0° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H21 | 120.0° | 119.1° |
| O1 | C2 | C3 | H22 | 119.8° | 118.9° |
| O1 | C2 | H21 | H22 | 119.8° | 117.9° |
| O1 | C2 | C3 | O4 | 105.0° | 59.1° |
| O1 | C2 | C3 | H31A | 134.9° | 60.0° |
| O1 | C2 | C3 | H32 | 14.9° | 178.0° |
| H1 | O1 | C2 | C3 | 2.2° | 50.5° |
| H1 | O1 | C2 | H21 | 122.2° | 70.5° |
| H1 | O1 | C2 | H22 | 117.5° | 170.7° |
| C3 | C2 | H21 | H22 | 119.7° | 122.5° |
| C2 | C3 | O4 | H31A | 120.0° | 120.9° |
| C2 | C3 | O4 | H32 | 119.9° | 120.3° |
| C2 | C3 | H31A | H32 | 119.9° | 122.5° |
| C2 | C3 | O4 | C5 | 174.3° | 180.0° |
| H21 | C2 | C3 | O4 | 15.0° | 60.0° |
| H21 | C2 | C3 | H31A | 105.0° | 179.1° |
| H21 | C2 | C3 | H32 | 134.9° | 58.9° |
| H22 | C2 | C3 | O4 | 135.2° | 178.0° |
| H22 | C2 | C3 | H31A | 15.2° | 58.9° |
| H22 | C2 | C3 | H32 | 104.9° | 63.1° |
| O4 | C3 | H31A | H32 | 119.9° | 117.9° |
| C3 | O4 | C5 | C6 | 107.3° | 179.0° |
| C3 | O4 | C5 | H51 | 132.7° | 59.9° |
| C3 | O4 | C5 | H52 | 12.4° | 58.8° |
| H31A | C3 | O4 | C5 | 65.7° | 59.1° |
| H32 | C3 | O4 | C5 | 54.3° | 59.7° |
| O4 | C5 | C6 | H51 | 120.0° | 119.2° |
| O4 | C5 | C6 | H52 | 119.7° | 118.8° |
| O4 | C5 | H51 | H52 | 119.7° | 117.8° |
| O4 | C5 | C6 | O7 | 177.1° | 59.2° |
| O4 | C5 | C6 | H61 | 62.9° | 60.0° |
| O4 | C5 | C6 | H62 | 57.3° | 178.0° |
| C6 | C5 | H51 | H52 | 119.7° | 122.5° |
| C5 | C6 | O7 | H61 | 120.0° | 121.0° |
| C5 | C6 | O7 | H62 | 119.8° | 120.2° |
| C5 | C6 | H61 | H62 | 119.8° | 122.4° |
| C5 | C6 | O7 | C8 | 60.4° | 180.0° |
| H51 | C5 | C6 | O7 | 57.1° | 60.0° |
| H51 | C5 | C6 | H61 | 177.1° | 179.1° |
| H51 | C5 | C6 | H62 | 62.7° | 58.9° |
| H52 | C5 | C6 | O7 | 63.2° | 178.0° |
| H52 | C5 | C6 | H61 | 56.8° | 58.9° |
| H52 | C5 | C6 | H62 | 177.0° | 63.1° |
| O7 | C6 | H61 | H62 | 119.8° | 117.9° |
| C6 | O7 | C8 | C9 | 105.6° | 179.0° |
| C6 | O7 | C8 | H81 | 134.4° | 60.1° |
| C6 | O7 | C8 | H82 | 14.1° | 58.8° |
| H61 | C6 | O7 | C8 | 59.6° | 59.0° |
| H62 | C6 | O7 | C8 | 179.9° | 59.8° |
| O7 | C8 | C9 | H81 | 120.0° | 119.1° |
| O7 | C8 | C9 | H82 | 119.7° | 118.9° |
| O7 | C8 | H81 | H82 | 119.7° | 117.9° |
| O7 | C8 | C9 | O10 | 115.0° | 60.9° |
| O7 | C8 | C9 | H91 | 125.0° | 179.9° |
| O7 | C8 | C9 | H92 | 4.8° | 58.0° |
| C9 | C8 | H81 | H82 | 119.7° | 122.4° |
| C8 | C9 | O10 | H91 | 120.0° | 121.0° |
| C8 | C9 | O10 | H92 | 119.8° | 120.3° |
| C8 | C9 | H91 | H92 | 119.8° | 122.5° |
| C8 | C9 | O10 | C11 | 145.3° | 180.0° |
| H81 | C8 | C9 | O10 | 4.9° | 180.0° |
| H81 | C8 | C9 | H91 | 115.0° | 60.9° |
| H81 | C8 | C9 | H92 | 124.7° | 61.1° |
| H82 | C8 | C9 | O10 | 125.2° | 58.0° |
| H82 | C8 | C9 | H91 | 5.3° | 61.1° |
| H82 | C8 | C9 | H92 | 115.0° | 176.9° |
| O10 | C9 | H91 | H92 | 119.8° | 117.8° |
| C9 | O10 | C11 | C12 | 119.9° | 179.0° |
| C9 | O10 | C11 | H111 | 0.1° | 60.0° |
| C9 | O10 | C11 | H112 | 120.3° | 58.8° |
| H91 | C9 | O10 | C11 | 25.3° | 59.0° |
| H92 | C9 | O10 | C11 | 94.9° | 59.7° |
| O10 | C11 | C12 | H111 | 120.0° | 119.1° |
| O10 | C11 | C12 | H112 | 119.8° | 118.8° |
| O10 | C11 | H111 | H112 | 119.8° | 117.8° |
| O10 | C11 | C12 | O13 | 162.0° | 60.8° |
| O10 | C11 | C12 | H121 | 41.9° | 180.0° |
| O10 | C11 | C12 | H122 | 75.1° | 58.0° |
| C12 | C11 | H111 | H112 | 119.7° | 122.5° |
| C11 | C12 | O13 | H121 | 119.9° | 121.0° |
| C11 | C12 | O13 | H122 | 122.9° | 120.2° |
| C11 | C12 | H121 | H122 | 146.6° | 122.5° |
| C11 | C12 | O13 | C14 | 90.0° | 180.0° |
| H111 | C11 | C12 | O13 | 78.0° | 180.0° |
| H111 | C11 | C12 | H121 | 161.9° | 60.9° |
| H111 | C11 | C12 | H122 | 44.9° | 61.1° |
| H112 | C11 | C12 | O13 | 42.2° | 58.0° |
| H112 | C11 | C12 | H121 | 77.9° | 61.2° |
| H112 | C11 | C12 | H122 | 165.1° | 176.8° |
| O13 | C12 | H121 | H122 | 146.7° | 117.9° |
| C12 | O13 | C14 | C15 | 90.0° | 179.0° |
| C12 | O13 | C14 | H141 | 90.0° | 60.1° |
| C12 | O13 | C14 | H142 | 90.0° | 58.8° |
| H121 | C12 | O13 | C14 | 90.0° | 59.0° |
| H122 | C12 | O13 | C14 | 90.0° | 59.8° |
| C15 | C14 | O13 | H141 | 90.0° | 120.9° |
| C15 | C14 | O13 | H142 | 90.0° | 120.3° |
| C15 | C14 | H141 | H142 | 90.0° | 122.5° |
| C14 | C15 | O16 | H151 | 90.0° | 121.0° |
| C14 | C15 | O16 | H152 | 90.0° | 120.2° |
| C14 | C15 | H151 | H152 | 90.0° | 122.4° |
| C14 | C15 | O16 | C17 | 90.0° | 179.0° |
| O13 | C14 | H141 | H142 | 90.0° | 117.9° |
| O13 | C14 | C15 | O16 | 90.0° | 59.1° |
| O13 | C14 | C15 | H151 | 90.0° | 60.1° |
| O13 | C14 | C15 | H152 | 90.0° | 178.0° |
| H141 | C14 | C15 | O16 | 90.0° | 59.9° |
| H141 | C14 | C15 | H151 | 90.0° | 179.1° |
| H141 | C14 | C15 | H152 | 90.0° | 58.9° |
| H142 | C14 | C15 | O16 | 90.0° | 178.0° |
| H142 | C14 | C15 | H151 | 90.0° | 58.8° |
| H142 | C14 | C15 | H152 | 90.0° | 63.1° |
| O16 | C15 | H151 | H152 | 90.0° | 117.9° |
| C15 | O16 | C17 | C18 | 90.0° | 180.0° |
| C15 | O16 | C17 | H171 | 90.0° | 59.1° |
| C15 | O16 | C17 | H172 | 90.0° | 59.8° |
| H151 | C15 | O16 | C17 | 90.0° | 60.0° |
| H152 | C15 | O16 | C17 | 90.0° | 58.8° |
| C18 | C17 | O16 | H171 | 90.0° | 121.0° |
| C18 | C17 | O16 | H172 | 90.0° | 120.2° |
| C18 | C17 | H171 | H172 | 90.0° | 122.5° |
| C17 | C18 | O19 | H181 | 90.0° | 121.0° |
| C17 | C18 | O19 | H182 | 90.0° | 120.3° |
| C17 | C18 | H181 | H182 | 90.0° | 122.5° |
| C17 | C18 | O19 | C20 | 90.0° | 179.1° |
| O16 | C17 | H171 | H172 | 90.0° | 117.9° |
| O16 | C17 | C18 | O19 | 90.0° | 60.9° |
| O16 | C17 | C18 | H181 | 90.0° | 180.0° |
| O16 | C17 | C18 | H182 | 90.0° | 58.0° |
| H171 | C17 | C18 | O19 | 90.0° | 180.0° |
| H171 | C17 | C18 | H181 | 90.0° | 60.9° |
| H171 | C17 | C18 | H182 | 90.0° | 61.1° |
| H172 | C17 | C18 | O19 | 90.0° | 58.0° |
| H172 | C17 | C18 | H181 | 90.0° | 61.2° |
| H172 | C17 | C18 | H182 | 90.0° | 176.8° |
| O19 | C18 | H181 | H182 | 90.0° | 117.8° |
| C18 | O19 | C20 | C21 | 90.0° | 180.0° |
| C18 | O19 | C20 | H201 | 90.0° | 59.0° |
| C18 | O19 | C20 | H202 | 90.0° | 59.7° |
| H181 | C18 | O19 | C20 | 90.0° | 59.9° |
| H182 | C18 | O19 | C20 | 90.0° | 58.8° |
| C21 | C20 | O19 | H201 | 90.0° | 120.9° |
| C21 | C20 | O19 | H202 | 90.0° | 120.3° |
| C21 | C20 | H201 | H202 | 90.0° | 122.5° |
| C20 | C21 | O22 | H211 | 90.0° | 120.9° |
| C20 | C21 | O22 | H212 | 90.0° | 120.3° |
| C20 | C21 | H211 | H212 | 90.0° | 122.5° |
| C20 | C21 | O22 | C23 | 90.0° | 179.1° |
| O19 | C20 | H201 | H202 | 90.0° | 117.9° |
| O19 | C20 | C21 | O22 | 90.0° | 60.9° |
| O19 | C20 | C21 | H211 | 90.0° | 180.0° |
| O19 | C20 | C21 | H212 | 90.0° | 57.9° |
| H201 | C20 | C21 | O22 | 90.0° | 180.0° |
| H201 | C20 | C21 | H211 | 90.0° | 61.0° |
| H201 | C20 | C21 | H212 | 90.0° | 61.1° |
| H202 | C20 | C21 | O22 | 90.0° | 58.0° |
| H202 | C20 | C21 | H211 | 90.0° | 61.1° |
| H202 | C20 | C21 | H212 | 90.0° | 176.8° |
| O22 | C21 | H211 | H212 | 90.0° | 117.8° |
| C21 | O22 | C23 | C24 | 90.0° | 180.0° |
| C21 | O22 | C23 | H231 | 90.0° | 59.0° |
| C21 | O22 | C23 | H232 | 90.0° | 59.8° |
| H211 | C21 | O22 | C23 | 90.0° | 60.0° |
| H212 | C21 | O22 | C23 | 90.0° | 58.8° |
| C24 | C23 | O22 | H231 | 90.0° | 121.0° |
| C24 | C23 | O22 | H232 | 90.0° | 120.2° |
| C24 | C23 | H231 | H232 | 90.0° | 122.4° |
| C23 | C24 | O25 | H241 | 90.0° | 120.9° |
| C23 | C24 | O25 | H242 | 90.0° | 120.2° |
| C23 | C24 | H241 | H242 | 90.0° | 122.5° |
| C23 | C24 | O25 | C26 | 90.0° | 179.0° |
| O22 | C23 | H231 | H232 | 90.0° | 117.9° |
| O22 | C23 | C24 | O25 | 90.0° | 59.1° |
| O22 | C23 | C24 | H241 | 90.0° | 60.0° |
| O22 | C23 | C24 | H242 | 90.0° | 177.9° |
| H231 | C23 | C24 | O25 | 90.0° | 60.0° |
| H231 | C23 | C24 | H241 | 90.0° | 179.1° |
| H231 | C23 | C24 | H242 | 90.0° | 58.8° |
| H232 | C23 | C24 | O25 | 90.0° | 178.0° |
| H232 | C23 | C24 | H241 | 90.0° | 58.9° |
| H232 | C23 | C24 | H242 | 90.0° | 63.2° |
| O25 | C24 | H241 | H242 | 90.0° | 117.9° |
| C24 | O25 | C26 | C27 | 90.0° | 180.0° |
| C24 | O25 | C26 | H261 | 90.0° | 59.0° |
| C24 | O25 | C26 | H262 | 90.0° | 59.8° |
| H241 | C24 | O25 | C26 | 90.0° | 60.0° |
| H242 | C24 | O25 | C26 | 90.0° | 58.8° |
| C27 | C26 | O25 | H261 | 90.0° | 121.0° |
| C27 | C26 | O25 | H262 | 90.0° | 120.2° |
| C27 | C26 | H261 | H262 | 90.0° | 122.5° |
| C26 | C27 | O28 | H271 | 90.0° | 121.0° |
| C26 | C27 | O28 | H272 | 90.0° | 120.2° |
| C26 | C27 | H271 | H272 | 90.0° | 122.5° |
| C26 | C27 | O28 | C29 | 90.0° | 151.0° |
| O25 | C26 | H261 | H262 | 90.0° | 117.8° |
| O25 | C26 | C27 | O28 | 90.0° | 59.2° |
| O25 | C26 | C27 | H271 | 90.0° | 60.0° |
| O25 | C26 | C27 | H272 | 90.0° | 178.0° |
| H261 | C26 | C27 | O28 | 90.0° | 60.0° |
| H261 | C26 | C27 | H271 | 90.0° | 179.1° |
| H261 | C26 | C27 | H272 | 90.0° | 58.8° |
| H262 | C26 | C27 | O28 | 90.0° | 178.0° |
| H262 | C26 | C27 | H271 | 90.0° | 58.9° |
| H262 | C26 | C27 | H272 | 90.0° | 63.2° |
| O28 | C27 | H271 | H272 | 90.0° | 117.9° |
| C27 | O28 | C29 | C30 | 90.0° | 150.0° |
| C27 | O28 | C29 | C34 | 90.0° | 30.1° |
| H271 | C27 | O28 | C29 | 90.0° | 30.0° |
| H272 | C27 | O28 | C29 | 90.0° | 88.9° |
| C30 | C29 | C34 | O28 | 90.0° | 179.8° |
| C29 | C30 | C31 | H30 | 90.0° | 179.9° |
| C29 | C30 | C31 | C32 | 90.0° | 0.0° |
| C29 | C30 | C31 | H31 | 90.0° | 179.9° |
| C30 | C29 | C34 | C33 | 90.0° | 0.1° |
| C30 | C29 | C34 | H34 | 90.0° | 180.0° |
| C34 | C29 | C30 | C31 | 90.0° | 0.1° |
| C34 | C29 | C30 | H30 | 90.0° | 180.0° |
| C29 | C34 | C33 | C32 | 90.0° | 0.0° |
| C29 | C34 | C33 | H34 | 90.0° | 180.0° |
| C29 | C34 | C33 | H33 | 90.0° | 180.0° |
| O28 | C29 | C30 | C31 | 90.0° | 179.9° |
| O28 | C29 | C30 | H30 | 90.0° | 0.2° |
| O28 | C29 | C34 | C33 | 90.0° | 179.9° |
| O28 | C29 | C34 | H34 | 90.0° | 0.1° |
| C30 | C31 | C32 | H31 | 90.0° | 179.9° |
| C30 | C31 | C32 | C33 | 90.0° | 0.1° |
| C30 | C31 | C32 | C35 | 90.0° | 179.9° |
| H30 | C30 | C31 | C32 | 90.0° | 179.9° |
| H30 | C30 | C31 | H31 | 90.0° | 0.0° |
| C31 | C32 | C33 | C35 | 90.0° | 179.9° |
| C31 | C32 | C33 | C34 | 90.0° | 0.1° |
| C31 | C32 | C33 | H33 | 90.0° | 179.9° |
| C31 | C32 | C35 | C36 | 90.0° | 60.1° |
| C31 | C32 | C35 | C37 | 90.0° | 175.9° |
| C31 | C32 | C35 | C38 | 90.0° | 57.0° |
| H31 | C31 | C32 | C33 | 90.0° | 180.0° |
| H31 | C31 | C32 | C35 | 90.0° | 0.2° |
| C32 | C33 | C34 | H33 | 90.0° | 180.0° |
| C32 | C33 | C34 | H34 | 90.0° | 180.0° |
| C33 | C32 | C35 | C36 | 90.0° | 120.1° |
| C33 | C32 | C35 | C37 | 90.0° | 4.2° |
| C33 | C32 | C35 | C38 | 90.0° | 122.9° |
| C35 | C32 | C33 | C34 | 90.0° | 179.9° |
| C35 | C32 | C33 | H33 | 90.0° | 0.1° |
| C32 | C35 | C36 | C37 | 90.0° | 121.3° |
| C32 | C35 | C36 | C38 | 90.0° | 121.1° |
| C32 | C35 | C37 | C38 | 90.0° | 128.4° |
| C32 | C35 | C36 | H361 | 90.0° | 64.0° |
| C32 | C35 | C36 | H362 | 90.0° | 56.3° |
| C32 | C35 | C36 | H363 | 90.0° | 176.2° |
| C32 | C35 | C37 | H371 | 90.0° | 64.2° |
| C32 | C35 | C37 | H372 | 90.0° | 176.8° |
| C32 | C35 | C37 | H373 | 90.0° | 55.7° |
| C32 | C35 | C38 | C39 | 90.0° | 56.6° |
| C32 | C35 | C38 | H381 | 90.0° | 180.0° |
| C32 | C35 | C38 | H382 | 90.0° | 68.7° |
| H33 | C33 | C34 | H34 | 90.0° | 0.0° |
| C36 | C35 | C37 | C38 | 90.0° | 115.2° |
| C35 | C36 | H361 | H362 | 90.0° | 122.6° |
| C35 | C36 | H361 | H363 | 90.0° | 122.2° |
| C35 | C36 | H362 | H363 | 90.0° | 122.0° |
| C36 | C35 | C37 | H371 | 90.0° | 52.2° |
| C36 | C35 | C37 | H372 | 90.0° | 66.8° |
| C36 | C35 | C37 | H373 | 90.0° | 172.0° |
| C36 | C35 | C38 | C39 | 90.0° | 173.4° |
| C36 | C35 | C38 | H381 | 90.0° | 63.2° |
| C36 | C35 | C38 | H382 | 90.0° | 48.1° |
| C37 | C35 | C36 | H361 | 90.0° | 174.7° |
| C37 | C35 | C36 | H362 | 90.0° | 65.0° |
| C37 | C35 | C36 | H363 | 90.0° | 54.9° |
| C35 | C37 | H371 | H372 | 90.0° | 121.6° |
| C35 | C37 | H371 | H373 | 90.0° | 123.0° |
| C35 | C37 | H372 | H373 | 90.0° | 123.7° |
| C37 | C35 | C38 | C39 | 90.0° | 72.3° |
| C37 | C35 | C38 | H381 | 90.0° | 51.2° |
| C37 | C35 | C38 | H382 | 90.0° | 162.4° |
| C38 | C35 | C36 | H361 | 90.0° | 57.1° |
| C38 | C35 | C36 | H362 | 90.0° | 177.4° |
| C38 | C35 | C36 | H363 | 90.0° | 62.7° |
| C38 | C35 | C37 | H371 | 90.0° | 167.4° |
| C38 | C35 | C37 | H372 | 90.0° | 48.4° |
| C38 | C35 | C37 | H373 | 90.0° | 72.8° |
| C35 | C38 | C39 | H381 | 90.0° | 123.9° |
| C35 | C38 | C39 | H382 | 90.0° | 125.5° |
| C35 | C38 | H381 | H382 | 90.0° | 114.0° |
| C35 | C38 | C39 | C40 | 90.0° | 176.1° |
| C35 | C38 | C39 | C41 | 90.0° | 67.3° |
| C35 | C38 | C39 | C42 | 90.0° | 57.2° |
| H361 | C36 | H362 | H363 | 90.0° | 114.9° |
| H371 | C37 | H372 | H373 | 90.0° | 114.6° |
| C39 | C38 | H381 | H382 | 90.0° | 113.2° |
| C38 | C39 | C40 | C41 | 90.0° | 119.9° |
| C38 | C39 | C40 | C42 | 90.0° | 123.0° |
| C38 | C39 | C41 | C42 | 90.0° | 127.1° |
| C38 | C39 | C40 | H401 | 90.0° | 62.2° |
| C38 | C39 | C40 | H402 | 90.0° | 57.9° |
| C38 | C39 | C40 | H403 | 90.0° | 178.0° |
| C38 | C39 | C41 | H411 | 90.0° | 49.6° |
| C38 | C39 | C41 | H412 | 90.0° | 169.0° |
| C38 | C39 | C41 | H413 | 90.0° | 72.0° |
| C38 | C39 | C42 | H421 | 90.0° | 174.2° |
| C38 | C39 | C42 | H422 | 90.0° | 55.1° |
| C38 | C39 | C42 | H423 | 90.0° | 66.9° |
| H381 | C38 | C39 | C40 | 90.0° | 60.0° |
| H381 | C38 | C39 | C41 | 90.0° | 56.6° |
| H381 | C38 | C39 | C42 | 90.0° | 178.9° |
| H382 | C38 | C39 | C40 | 90.0° | 50.7° |
| H382 | C38 | C39 | C41 | 90.0° | 167.3° |
| H382 | C38 | C39 | C42 | 90.0° | 68.2° |
| C40 | C39 | C41 | C42 | 90.0° | 116.0° |
| C39 | C40 | H401 | H402 | 90.0° | 122.1° |
| C39 | C40 | H401 | H403 | 90.0° | 122.2° |
| C39 | C40 | H402 | H403 | 90.0° | 122.3° |
| C40 | C39 | C41 | H411 | 90.0° | 67.2° |
| C40 | C39 | C41 | H412 | 90.0° | 52.2° |
| C40 | C39 | C41 | H413 | 90.0° | 171.2° |
| C40 | C39 | C42 | H421 | 90.0° | 55.6° |
| C40 | C39 | C42 | H422 | 90.0° | 63.5° |
| C40 | C39 | C42 | H423 | 90.0° | 174.5° |
| C41 | C39 | C40 | H401 | 90.0° | 177.9° |
| C41 | C39 | C40 | H402 | 90.0° | 62.0° |
| C41 | C39 | C40 | H403 | 90.0° | 58.0° |
| C39 | C41 | H411 | H412 | 90.0° | 121.5° |
| C39 | C41 | H411 | H413 | 90.0° | 124.2° |
| C39 | C41 | H412 | H413 | 90.0° | 122.8° |
| C41 | C39 | C42 | H421 | 90.0° | 59.9° |
| C41 | C39 | C42 | H422 | 90.0° | 179.0° |
| C41 | C39 | C42 | H423 | 90.0° | 59.1° |
| C42 | C39 | C40 | H401 | 90.0° | 60.8° |
| C42 | C39 | C40 | H402 | 90.0° | 179.1° |
| C42 | C39 | C40 | H403 | 90.0° | 59.1° |
| C42 | C39 | C41 | H411 | 90.0° | 176.7° |
| C42 | C39 | C41 | H412 | 90.0° | 63.9° |
| C42 | C39 | C41 | H413 | 90.0° | 55.2° |
| C39 | C42 | H421 | H422 | 90.0° | 121.7° |
| C39 | C42 | H421 | H423 | 90.0° | 122.1° |
| C39 | C42 | H422 | H423 | 90.0° | 123.8° |
| H401 | C40 | H402 | H403 | 90.0° | 115.5° |
| H411 | C41 | H412 | H413 | 90.0° | 115.4° |
| H421 | C42 | H422 | H423 | 90.0° | 114.8° |
