OQA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C30 | doub | 1.21Å | 1.20Å | |
| C34 | O32 | sing | 1.45Å | 1.38Å | |
| C30 | O32 | sing | 1.35Å | 1.39Å | |
| C30 | N29 | sing | 1.35Å | 1.44Å | |
| C14 | C15 | doub | 1.38Å | 1.53Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.53Å | Aromatic |
| O10 | C05 | sing | 1.43Å | 1.41Å | |
| C15 | C16 | sing | 1.38Å | 1.52Å | Aromatic |
| C42 | C31 | sing | 1.53Å | 1.52Å | |
| N29 | C09 | sing | 1.47Å | 1.45Å | |
| C09 | C31 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.51Å | 1.55Å | |
| N07 | C06 | sing | 1.46Å | 1.45Å | |
| N07 | C08 | sing | 1.35Å | 1.46Å | |
| C11 | C13 | sing | 1.51Å | 1.51Å | |
| C11 | C06 | sing | 1.53Å | 1.52Å | |
| C13 | C18 | doub | 1.38Å | 1.52Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | C03 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | doub | 1.38Å | 1.53Å | Aromatic |
| C31 | C43 | sing | 1.53Å | 1.52Å | |
| C08 | O12 | doub | 1.21Å | 1.19Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.38Å | 1.52Å | Aromatic |
| C02 | N01 | sing | 1.47Å | 1.43Å | |
| C02 | C04 | sing | 1.53Å | 1.51Å | |
| N01 | C19 | sing | 1.35Å | 1.46Å | |
| C04 | C23 | sing | 1.51Å | 1.51Å | |
| C19 | O21 | sing | 1.35Å | 1.41Å | |
| C19 | O20 | doub | 1.22Å | 1.21Å | |
| O21 | C22 | sing | 1.45Å | 1.49Å | |
| C23 | C24 | doub | 1.38Å | 1.52Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.53Å | Aromatic |
| O36 | C35 | sing | 1.44Å | 1.51Å | |
| O36 | C37 | sing | 1.44Å | 1.56Å | |
| C24 | C25 | sing | 1.38Å | 1.52Å | Aromatic |
| C35 | C22 | sing | 1.54Å | 1.21Å | |
| O39 | C40 | sing | 1.44Å | 1.29Å | |
| O39 | C37 | sing | 1.43Å | 1.62Å | |
| C22 | C38 | sing | 1.54Å | 1.65Å | |
| C40 | C41 | sing | 1.55Å | 1.45Å | |
| C28 | C27 | doub | 1.38Å | 1.53Å | Aromatic |
| C37 | C38 | sing | 1.55Å | 1.20Å | |
| C25 | C26 | doub | 1.38Å | 1.53Å | Aromatic |
| C38 | C41 | sing | 1.55Å | 1.60Å | |
| C27 | C26 | sing | 1.38Å | 1.52Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H423 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C30 | O32 | 121.7° | 120.0° |
| O33 | C30 | N29 | 122.6° | 120.0° |
| C34 | O32 | C30 | 113.4° | 117.0° |
| O32 | C34 | H342 | 109.5° | 109.5° |
| O32 | C34 | H341 | 109.5° | 109.5° |
| O32 | C34 | H343 | 109.5° | 109.5° |
| O32 | C30 | N29 | 115.7° | 120.0° |
| C30 | N29 | C09 | 122.2° | 120.0° |
| C30 | N29 | H291 | 118.9° | 120.0° |
| C15 | C14 | C13 | 119.8° | 120.0° |
| C14 | C15 | C16 | 119.4° | 120.0° |
| C14 | C15 | H151 | 120.3° | 120.0° |
| C15 | C14 | H141 | 120.1° | 120.0° |
| C14 | C13 | C11 | 119.6° | 120.0° |
| C14 | C13 | C18 | 120.7° | 120.0° |
| C13 | C14 | H141 | 120.1° | 120.0° |
| O10 | C05 | C06 | 110.5° | 109.5° |
| O10 | C05 | C03 | 105.3° | 109.5° |
| O10 | C05 | H051 | 110.8° | 109.5° |
| C05 | O10 | H101 | 109.5° | 113.9° |
| C15 | C16 | C17 | 120.6° | 120.0° |
| C16 | C15 | H151 | 120.3° | 120.0° |
| C15 | C16 | H161 | 119.7° | 120.0° |
| C42 | C31 | C09 | 107.6° | 109.5° |
| C42 | C31 | C43 | 108.8° | 109.5° |
| C42 | C31 | H311 | 111.6° | 109.5° |
| C31 | C42 | H422 | 109.5° | 109.5° |
| C31 | C42 | H423 | 109.5° | 109.5° |
| C31 | C42 | H421 | 109.5° | 109.5° |
| N29 | C09 | C31 | 116.6° | 109.4° |
| N29 | C09 | C08 | 102.1° | 109.5° |
| N29 | C09 | H091 | 109.7° | 109.5° |
| C09 | N29 | H291 | 118.9° | 120.0° |
| C31 | C09 | C08 | 111.2° | 109.5° |
| C09 | C31 | C43 | 105.4° | 109.5° |
| C31 | C09 | H091 | 108.6° | 109.5° |
| C09 | C31 | H311 | 111.6° | 109.5° |
| C09 | C08 | N07 | 119.5° | 120.0° |
| C09 | C08 | O12 | 119.6° | 120.0° |
| C08 | C09 | H091 | 108.3° | 109.5° |
| C06 | N07 | C08 | 121.9° | 120.0° |
| N07 | C06 | C11 | 110.1° | 109.5° |
| N07 | C06 | C05 | 111.1° | 109.5° |
| N07 | C06 | H061 | 110.6° | 109.5° |
| C06 | N07 | H071 | 119.0° | 120.0° |
| N07 | C08 | O12 | 120.8° | 120.0° |
| C08 | N07 | H071 | 119.0° | 120.0° |
| C13 | C11 | C06 | 104.4° | 109.5° |
| C11 | C13 | C18 | 119.7° | 120.0° |
| C13 | C11 | H112 | 110.7° | 109.5° |
| C13 | C11 | H111 | 110.7° | 109.5° |
| C11 | C06 | C05 | 105.9° | 109.5° |
| C11 | C06 | H061 | 109.6° | 109.5° |
| C06 | C11 | H112 | 110.7° | 109.5° |
| C06 | C11 | H111 | 110.7° | 109.5° |
| C13 | C18 | C17 | 119.2° | 120.0° |
| C13 | C18 | H181 | 120.4° | 120.0° |
| C06 | C05 | C03 | 111.9° | 109.5° |
| C06 | C05 | H051 | 109.1° | 109.4° |
| C05 | C06 | H061 | 109.5° | 109.4° |
| C05 | C03 | C02 | 115.6° | 109.4° |
| C05 | C03 | H031 | 107.9° | 109.5° |
| C05 | C03 | H032 | 107.9° | 109.5° |
| C03 | C05 | H051 | 109.2° | 109.5° |
| C16 | C17 | C18 | 120.3° | 120.0° |
| C16 | C17 | H171 | 119.8° | 120.0° |
| C17 | C16 | H161 | 119.7° | 120.0° |
| C31 | C43 | C44 | 110.3° | 109.5° |
| C43 | C31 | H311 | 111.6° | 109.4° |
| C31 | C43 | H432 | 109.3° | 109.5° |
| C31 | C43 | H431 | 109.3° | 109.5° |
| C44 | C43 | H432 | 109.3° | 109.4° |
| C44 | C43 | H431 | 109.2° | 109.5° |
| C43 | C44 | H443 | 109.5° | 109.5° |
| C43 | C44 | H441 | 109.4° | 109.5° |
| C43 | C44 | H442 | 109.5° | 109.5° |
| C03 | C02 | N01 | 109.7° | 109.5° |
| C03 | C02 | C04 | 103.2° | 109.5° |
| C03 | C02 | H021 | 108.8° | 109.5° |
| C02 | C03 | H031 | 107.9° | 109.4° |
| C02 | C03 | H032 | 107.9° | 109.5° |
| C18 | C17 | H171 | 119.9° | 120.0° |
| C17 | C18 | H181 | 120.4° | 120.0° |
| N01 | C02 | C04 | 115.7° | 109.5° |
| C02 | N01 | C19 | 115.5° | 120.0° |
| N01 | C02 | H021 | 110.1° | 109.4° |
| C02 | N01 | H011 | 122.3° | 119.9° |
| C02 | C04 | C23 | 109.4° | 109.5° |
| C04 | C02 | H021 | 109.0° | 109.5° |
| C02 | C04 | H042 | 109.5° | 109.4° |
| C02 | C04 | H041 | 109.5° | 109.5° |
| N01 | C19 | O21 | 114.3° | 120.0° |
| N01 | C19 | O20 | 123.2° | 120.0° |
| C19 | N01 | H011 | 122.2° | 120.1° |
| C04 | C23 | C24 | 117.4° | 120.0° |
| C04 | C23 | C28 | 121.7° | 120.0° |
| C23 | C04 | H042 | 109.5° | 109.5° |
| C23 | C04 | H041 | 109.5° | 109.5° |
| O21 | C19 | O20 | 122.6° | 120.0° |
| C19 | O21 | C22 | 121.6° | 117.0° |
| O21 | C22 | C35 | 108.2° | 110.6° |
| O21 | C22 | C38 | 108.0° | 110.5° |
| O21 | C22 | H221 | 110.6° | 110.4° |
| C24 | C23 | C28 | 120.9° | 120.0° |
| C23 | C24 | C25 | 119.5° | 120.0° |
| C23 | C24 | H241 | 120.2° | 120.0° |
| C23 | C28 | C27 | 119.6° | 120.0° |
| C23 | C28 | H281 | 120.2° | 120.0° |
| C35 | O36 | C37 | 104.1° | 106.0° |
| O36 | C35 | C22 | 103.4° | 104.7° |
| O36 | C35 | H351 | 111.0° | 110.4° |
| O36 | C35 | H352 | 110.9° | 110.5° |
| O36 | C37 | O39 | 111.1° | 109.1° |
| O36 | C37 | C38 | 106.8° | 104.9° |
| O36 | C37 | H371 | 108.7° | 111.8° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C25 | C24 | H241 | 120.3° | 120.0° |
| C24 | C25 | H251 | 120.1° | 120.0° |
| C35 | C22 | C38 | 105.7° | 104.2° |
| C35 | C22 | H221 | 115.5° | 110.5° |
| C22 | C35 | H351 | 110.9° | 110.4° |
| C22 | C35 | H352 | 111.0° | 110.4° |
| C40 | O39 | C37 | 109.4° | 110.2° |
| O39 | C40 | C41 | 106.1° | 105.5° |
| O39 | C40 | H402 | 110.3° | 110.8° |
| O39 | C40 | H401 | 110.3° | 109.6° |
| O39 | C37 | C38 | 107.8° | 107.1° |
| O39 | C37 | H371 | 107.9° | 111.7° |
| C22 | C38 | C37 | 105.9° | 104.4° |
| C22 | C38 | C41 | 111.1° | 109.1° |
| C38 | C22 | H221 | 108.5° | 110.5° |
| C22 | C38 | H381 | 108.4° | 113.1° |
| C40 | C41 | C38 | 104.7° | 101.0° |
| C41 | C40 | H402 | 110.3° | 110.3° |
| C41 | C40 | H401 | 110.3° | 110.3° |
| C40 | C41 | H411 | 110.6° | 111.1° |
| C40 | C41 | H412 | 110.7° | 111.1° |
| C28 | C27 | C26 | 119.4° | 119.9° |
| C27 | C28 | H281 | 120.2° | 120.0° |
| C28 | C27 | H271 | 120.3° | 120.0° |
| C37 | C38 | C41 | 106.7° | 102.2° |
| C38 | C37 | H371 | 114.5° | 111.9° |
| C37 | C38 | H381 | 115.7° | 113.4° |
| C25 | C26 | C27 | 121.0° | 120.0° |
| C25 | C26 | H261 | 119.5° | 120.0° |
| C26 | C25 | H251 | 120.2° | 120.0° |
| C41 | C38 | H381 | 109.0° | 113.8° |
| C38 | C41 | H411 | 110.6° | 111.1° |
| C38 | C41 | H412 | 110.6° | 111.1° |
| C27 | C26 | H261 | 119.5° | 120.0° |
| C26 | C27 | H271 | 120.3° | 120.0° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.4° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.4° |
| H341 | C34 | H343 | 109.4° | 109.4° |
| H351 | C35 | H352 | 109.5° | 110.3° |
| H402 | C40 | H401 | 109.5° | 110.3° |
| H411 | C41 | H412 | 109.5° | 111.0° |
| H422 | C42 | H423 | 109.4° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.4° |
| H423 | C42 | H421 | 109.5° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.4° |
| H443 | C44 | H441 | 109.5° | 109.4° |
| H443 | C44 | H442 | 109.4° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C30 | O32 | C34 | 19.0° | 0.1° |
| O33 | C30 | O32 | N29 | 178.8° | 180.0° |
| O33 | C30 | N29 | C09 | 8.1° | 0.0° |
| O33 | C30 | N29 | H291 | 171.9° | 180.0° |
| C34 | O32 | C30 | N29 | 159.8° | 180.0° |
| O32 | C34 | H342 | H341 | 120.0° | 120.0° |
| O32 | C34 | H342 | H343 | 120.0° | 120.0° |
| O32 | C34 | H341 | H343 | 120.0° | 120.0° |
| O32 | C30 | N29 | C09 | 170.7° | 179.9° |
| C30 | O32 | C34 | H342 | 180.0° | 60.0° |
| C30 | O32 | C34 | H341 | 60.0° | 60.1° |
| C30 | O32 | C34 | H343 | 60.0° | 180.0° |
| O32 | C30 | N29 | H291 | 9.3° | 0.0° |
| C30 | N29 | C09 | H291 | 180.0° | 180.0° |
| C30 | N29 | C09 | C31 | 107.1° | 85.0° |
| C30 | N29 | C09 | C08 | 131.6° | 155.0° |
| C30 | N29 | C09 | H091 | 16.9° | 35.0° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.6° |
| C15 | C14 | C13 | C11 | 179.1° | 179.7° |
| C15 | C14 | C13 | C18 | 1.2° | 0.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.4° |
| C14 | C15 | C16 | H161 | 179.9° | 179.7° |
| C13 | C14 | C15 | C16 | 0.8° | 0.0° |
| C14 | C13 | C11 | C18 | 178.0° | 179.7° |
| C14 | C13 | C11 | C06 | 97.8° | 89.8° |
| C14 | C13 | C18 | C17 | 0.9° | 0.3° |
| C13 | C14 | C15 | H151 | 179.2° | 179.7° |
| C14 | C13 | C11 | H112 | 143.0° | 30.3° |
| C14 | C13 | C11 | H111 | 21.3° | 150.3° |
| C14 | C13 | C18 | H181 | 179.2° | 179.7° |
| O10 | C05 | C06 | N07 | 49.5° | 64.3° |
| O10 | C05 | C06 | C11 | 70.0° | 55.7° |
| O10 | C05 | C06 | C03 | 117.0° | 120.0° |
| O10 | C05 | C06 | H051 | 122.1° | 120.0° |
| O10 | C05 | C03 | H051 | 119.0° | 120.0° |
| O10 | C05 | C03 | C02 | 160.9° | 64.7° |
| O10 | C05 | C03 | H031 | 40.0° | 175.4° |
| O10 | C05 | C03 | H032 | 78.3° | 55.3° |
| O10 | C05 | C06 | H061 | 171.9° | 175.7° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.3° | 0.7° |
| C15 | C16 | C17 | H171 | 179.8° | 180.0° |
| C16 | C15 | C14 | H141 | 179.2° | 180.0° |
| C42 | C31 | C09 | N29 | 77.1° | 54.3° |
| C42 | C31 | C09 | C43 | 115.9° | 120.0° |
| C42 | C31 | C09 | H311 | 122.8° | 120.0° |
| C42 | C31 | C09 | C08 | 166.5° | 65.6° |
| C42 | C31 | C43 | H311 | 123.6° | 120.0° |
| C42 | C31 | C43 | C44 | 38.1° | 173.8° |
| C42 | C31 | C09 | H091 | 47.4° | 174.3° |
| C31 | C42 | H422 | H423 | 120.0° | 120.0° |
| C31 | C42 | H422 | H421 | 120.0° | 120.0° |
| C31 | C42 | H423 | H421 | 120.0° | 120.0° |
| C42 | C31 | C43 | H432 | 158.2° | 66.2° |
| C42 | C31 | C43 | H431 | 82.0° | 53.8° |
| N29 | C09 | C31 | C08 | 116.4° | 120.0° |
| N29 | C09 | C31 | H091 | 124.5° | 120.0° |
| N29 | C09 | C08 | H091 | 115.7° | 120.0° |
| N29 | C09 | C08 | N07 | 97.1° | 155.1° |
| N29 | C09 | C31 | C43 | 167.0° | 65.7° |
| N29 | C09 | C08 | O12 | 80.4° | 24.8° |
| N29 | C09 | C31 | H311 | 45.7° | 174.3° |
| C31 | C09 | C08 | H091 | 119.3° | 120.0° |
| C31 | C09 | C08 | N07 | 137.9° | 84.9° |
| C09 | C31 | C43 | H311 | 121.3° | 120.0° |
| C31 | C09 | C08 | O12 | 44.6° | 95.1° |
| C09 | C31 | C43 | C44 | 153.2° | 66.1° |
| C09 | C31 | C42 | H422 | 180.0° | 60.0° |
| C09 | C31 | C42 | H423 | 60.0° | 180.0° |
| C09 | C31 | C42 | H421 | 60.0° | 60.0° |
| C09 | C31 | C43 | H432 | 86.7° | 53.8° |
| C09 | C31 | C43 | H431 | 33.0° | 173.8° |
| C31 | C09 | N29 | H291 | 72.9° | 95.0° |
| C09 | C08 | N07 | C06 | 179.0° | 174.9° |
| C09 | C08 | N07 | O12 | 177.5° | 180.0° |
| C08 | C09 | C31 | C43 | 50.6° | 174.4° |
| C08 | C09 | C31 | H311 | 70.7° | 54.4° |
| C09 | C08 | N07 | H071 | 1.0° | 5.1° |
| C08 | C09 | N29 | H291 | 48.4° | 25.0° |
| C06 | N07 | C08 | H071 | 180.0° | 180.0° |
| N07 | C06 | C11 | C13 | 54.5° | 65.0° |
| N07 | C06 | C11 | C05 | 120.2° | 120.0° |
| N07 | C06 | C11 | H061 | 121.8° | 120.0° |
| N07 | C06 | C05 | H061 | 122.4° | 120.0° |
| N07 | C06 | C05 | C03 | 67.5° | 55.6° |
| C06 | N07 | C08 | O12 | 1.5° | 5.1° |
| N07 | C06 | C05 | H051 | 171.5° | 175.7° |
| N07 | C06 | C11 | H112 | 173.7° | 175.0° |
| N07 | C06 | C11 | H111 | 64.7° | 55.0° |
| C08 | N07 | C06 | C11 | 123.6° | 96.8° |
| C08 | N07 | C06 | C05 | 119.4° | 143.2° |
| C08 | N07 | C06 | H061 | 2.4° | 23.3° |
| N07 | C08 | C09 | H091 | 18.6° | 35.1° |
| C13 | C11 | C06 | H112 | 119.2° | 120.0° |
| C13 | C11 | C06 | H111 | 119.2° | 120.0° |
| C13 | C11 | C06 | C05 | 174.7° | 175.0° |
| C11 | C13 | C18 | C17 | 178.8° | 180.0° |
| C13 | C11 | C06 | H061 | 67.3° | 55.0° |
| C13 | C11 | H112 | H111 | 122.4° | 120.0° |
| C11 | C13 | C14 | H141 | 0.9° | 0.3° |
| C11 | C13 | C18 | H181 | 1.2° | 0.0° |
| C06 | C11 | C13 | C18 | 80.1° | 90.0° |
| C11 | C06 | C05 | H061 | 118.1° | 120.0° |
| C11 | C06 | C05 | C03 | 173.0° | 175.7° |
| C11 | C06 | C05 | H051 | 52.0° | 64.3° |
| C06 | C11 | H112 | H111 | 122.4° | 120.0° |
| C11 | C06 | N07 | H071 | 56.5° | 83.2° |
| C13 | C18 | C17 | C16 | 0.1° | 0.6° |
| C13 | C18 | C17 | H181 | 180.0° | 180.0° |
| C13 | C18 | C17 | H171 | 179.8° | 180.0° |
| C18 | C13 | C11 | H112 | 39.1° | 150.0° |
| C18 | C13 | C11 | H111 | 160.7° | 30.0° |
| C18 | C13 | C14 | H141 | 178.8° | 180.0° |
| C06 | C05 | C03 | H051 | 120.9° | 120.0° |
| C06 | C05 | C03 | C02 | 79.0° | 175.3° |
| C06 | C05 | C03 | H031 | 160.1° | 55.4° |
| C06 | C05 | C03 | H032 | 41.8° | 64.6° |
| C05 | C06 | C11 | H112 | 66.1° | 55.0° |
| C05 | C06 | C11 | H111 | 55.6° | 65.0° |
| C05 | C06 | N07 | H071 | 60.6° | 36.8° |
| C06 | C05 | O10 | H101 | 180.0° | 60.0° |
| C05 | C03 | C02 | H031 | 120.9° | 120.0° |
| C05 | C03 | C02 | H032 | 120.9° | 120.1° |
| C05 | C03 | C02 | N01 | 53.0° | 65.0° |
| C05 | C03 | C02 | C04 | 176.9° | 175.0° |
| C05 | C03 | C02 | H021 | 67.4° | 55.0° |
| C05 | C03 | H031 | H032 | 117.2° | 120.1° |
| C03 | C05 | C06 | H061 | 54.9° | 64.3° |
| C03 | C05 | O10 | H101 | 59.0° | 60.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.4° |
| C17 | C16 | C15 | H151 | 179.9° | 180.0° |
| C16 | C17 | C18 | H181 | 179.9° | 179.4° |
| C31 | C43 | C44 | H432 | 120.1° | 120.0° |
| C31 | C43 | C44 | H431 | 120.1° | 120.1° |
| C43 | C31 | C09 | H091 | 68.5° | 54.3° |
| C43 | C31 | C42 | H422 | 66.4° | 180.0° |
| C43 | C31 | C42 | H423 | 53.6° | 60.0° |
| C43 | C31 | C42 | H421 | 173.6° | 60.0° |
| C31 | C43 | H432 | H431 | 119.6° | 120.0° |
| C31 | C43 | C44 | H443 | 180.0° | 177.6° |
| C31 | C43 | C44 | H441 | 60.0° | 57.7° |
| C31 | C43 | C44 | H442 | 60.0° | 62.4° |
| O12 | C08 | C09 | H091 | 163.9° | 144.9° |
| O12 | C08 | N07 | H071 | 178.5° | 174.9° |
| C44 | C43 | C31 | H311 | 85.6° | 53.8° |
| C44 | C43 | H432 | H431 | 119.6° | 120.0° |
| C43 | C44 | H443 | H441 | 120.0° | 120.0° |
| C43 | C44 | H443 | H442 | 120.0° | 120.0° |
| C43 | C44 | H441 | H442 | 120.0° | 120.0° |
| C03 | C02 | N01 | C04 | 116.2° | 120.0° |
| C03 | C02 | N01 | H021 | 119.7° | 120.0° |
| C03 | C02 | C04 | H021 | 115.5° | 120.1° |
| C03 | C02 | N01 | C19 | 120.2° | 155.0° |
| C03 | C02 | C04 | C23 | 170.5° | 175.0° |
| C02 | C03 | H031 | H032 | 117.2° | 120.0° |
| C03 | C02 | C04 | H042 | 50.6° | 65.0° |
| C03 | C02 | C04 | H041 | 69.5° | 55.0° |
| C02 | C03 | C05 | H051 | 41.9° | 55.3° |
| C03 | C02 | N01 | H011 | 59.8° | 25.0° |
| C18 | C17 | C16 | H161 | 179.7° | 179.4° |
| N01 | C02 | C04 | H021 | 124.7° | 120.0° |
| C02 | N01 | C19 | H011 | 180.0° | 180.0° |
| N01 | C02 | C04 | C23 | 50.7° | 65.0° |
| C02 | N01 | C19 | O21 | 178.3° | 180.0° |
| C02 | N01 | C19 | O20 | 2.0° | 0.1° |
| N01 | C02 | C03 | H031 | 67.8° | 175.0° |
| N01 | C02 | C03 | H032 | 173.9° | 55.0° |
| N01 | C02 | C04 | H042 | 69.2° | 55.0° |
| N01 | C02 | C04 | H041 | 170.7° | 175.0° |
| C04 | C02 | N01 | C19 | 123.6° | 85.0° |
| C02 | C04 | C23 | H042 | 120.0° | 120.0° |
| C02 | C04 | C23 | H041 | 120.0° | 120.0° |
| C02 | C04 | C23 | C24 | 97.9° | 90.0° |
| C02 | C04 | C23 | C28 | 81.2° | 90.0° |
| C04 | C02 | C03 | H031 | 56.0° | 55.0° |
| C04 | C02 | C03 | H032 | 62.2° | 65.0° |
| C02 | C04 | H042 | H041 | 120.0° | 120.0° |
| C04 | C02 | N01 | H011 | 56.4° | 95.0° |
| N01 | C19 | O21 | O20 | 179.7° | 179.9° |
| N01 | C19 | O21 | C22 | 162.8° | 180.0° |
| C19 | N01 | C02 | H021 | 0.6° | 35.0° |
| C04 | C23 | C24 | C28 | 179.1° | 179.9° |
| C04 | C23 | C24 | C25 | 179.6° | 180.0° |
| C04 | C23 | C28 | C27 | 179.5° | 179.4° |
| C04 | C23 | C24 | H241 | 0.4° | 0.3° |
| C04 | C23 | C28 | H281 | 0.5° | 0.2° |
| C23 | C04 | C02 | H021 | 74.0° | 55.0° |
| C23 | C04 | H042 | H041 | 120.1° | 120.0° |
| C19 | O21 | C22 | C35 | 131.5° | 95.2° |
| C19 | O21 | C22 | C38 | 114.5° | 150.0° |
| C19 | O21 | C22 | H221 | 4.1° | 27.4° |
| O21 | C19 | N01 | H011 | 1.7° | 0.1° |
| O20 | C19 | O21 | C22 | 17.4° | 0.1° |
| O20 | C19 | N01 | H011 | 178.0° | 180.0° |
| O21 | C22 | C35 | O36 | 79.6° | 93.1° |
| O21 | C22 | C35 | C38 | 115.5° | 118.7° |
| O21 | C22 | C35 | H221 | 124.6° | 122.6° |
| O21 | C22 | C38 | H221 | 119.9° | 122.5° |
| O21 | C22 | C38 | C37 | 78.3° | 115.8° |
| O21 | C22 | C38 | C41 | 37.1° | 7.1° |
| O21 | C22 | C35 | H351 | 39.5° | 148.0° |
| O21 | C22 | C35 | H352 | 161.4° | 25.8° |
| O21 | C22 | C38 | H381 | 156.9° | 120.5° |
| C23 | C24 | C25 | H241 | 180.0° | 179.7° |
| C24 | C23 | C28 | C27 | 0.4° | 0.5° |
| C23 | C24 | C25 | C26 | 0.3° | 0.3° |
| C24 | C23 | C28 | H281 | 179.6° | 179.7° |
| C24 | C23 | C04 | H042 | 22.1° | 30.0° |
| C24 | C23 | C04 | H041 | 142.1° | 150.0° |
| C23 | C24 | C25 | H251 | 179.7° | 179.7° |
| C28 | C23 | C24 | C25 | 0.4° | 0.1° |
| C23 | C28 | C27 | H281 | 180.0° | 179.2° |
| C23 | C28 | C27 | C26 | 0.2° | 0.8° |
| C28 | C23 | C24 | H241 | 179.6° | 179.8° |
| C28 | C23 | C04 | H042 | 158.8° | 150.0° |
| C28 | C23 | C04 | H041 | 38.8° | 30.0° |
| C23 | C28 | C27 | H271 | 179.8° | 179.2° |
| O36 | C35 | C22 | H351 | 119.0° | 118.8° |
| O36 | C35 | C22 | H352 | 119.0° | 118.9° |
| C35 | O36 | C37 | O39 | 120.0° | 152.5° |
| O36 | C35 | C22 | C38 | 35.9° | 25.6° |
| C35 | O36 | C37 | C38 | 2.6° | 38.0° |
| O36 | C35 | C22 | H221 | 155.8° | 144.3° |
| O36 | C35 | H351 | H352 | 122.8° | 122.4° |
| C35 | O36 | C37 | H371 | 121.4° | 83.4° |
| C37 | O36 | C35 | C22 | 27.4° | 40.1° |
| O36 | C37 | O39 | C40 | 119.7° | 112.9° |
| O36 | C37 | O39 | C38 | 116.7° | 113.0° |
| O36 | C37 | O39 | H371 | 119.1° | 124.1° |
| O36 | C37 | C38 | C22 | 16.5° | 20.5° |
| O36 | C37 | C38 | H371 | 120.4° | 121.4° |
| O36 | C37 | C38 | C41 | 134.9° | 93.2° |
| C37 | O36 | C35 | H351 | 146.4° | 78.7° |
| C37 | O36 | C35 | H352 | 91.7° | 159.0° |
| O36 | C37 | C38 | H381 | 103.6° | 144.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.0° |
| C24 | C25 | C26 | H261 | 179.9° | 180.0° |
| C35 | C22 | C38 | H221 | 124.5° | 118.7° |
| C35 | C22 | C38 | C37 | 37.3° | 3.0° |
| C35 | C22 | C38 | C41 | 152.8° | 111.7° |
| C22 | C35 | H351 | H352 | 122.8° | 122.3° |
| C35 | C22 | C38 | H381 | 87.5° | 120.7° |
| O39 | C40 | C41 | H402 | 119.5° | 119.7° |
| O39 | C40 | C41 | H401 | 119.5° | 118.2° |
| C40 | O39 | C37 | C38 | 2.9° | 0.1° |
| O39 | C40 | C41 | C38 | 20.7° | 35.9° |
| C40 | O39 | C37 | H371 | 121.3° | 123.0° |
| O39 | C40 | H402 | H401 | 121.5° | 121.5° |
| O39 | C40 | C41 | H411 | 98.6° | 82.1° |
| O39 | C40 | C41 | H412 | 139.9° | 153.8° |
| O39 | C37 | C38 | C22 | 103.0° | 136.3° |
| C37 | O39 | C40 | C41 | 12.5° | 22.8° |
| O39 | C37 | C38 | H371 | 120.1° | 122.8° |
| O39 | C37 | C38 | C41 | 15.4° | 22.7° |
| O39 | C37 | C38 | H381 | 136.9° | 100.2° |
| C37 | O39 | C40 | H402 | 132.0° | 142.2° |
| C37 | O39 | C40 | H401 | 106.9° | 95.9° |
| C22 | C38 | C41 | C40 | 91.6° | 144.6° |
| C22 | C38 | C37 | C41 | 118.4° | 113.6° |
| C22 | C38 | C37 | H381 | 120.1° | 123.5° |
| C22 | C38 | C41 | H381 | 119.4° | 127.3° |
| C38 | C22 | C35 | H351 | 154.9° | 93.2° |
| C38 | C22 | C35 | H352 | 83.1° | 144.5° |
| C22 | C38 | C37 | H371 | 136.9° | 100.9° |
| C22 | C38 | C41 | H411 | 149.2° | 26.7° |
| C22 | C38 | C41 | H412 | 27.7° | 97.4° |
| C40 | C41 | C38 | C37 | 23.4° | 34.5° |
| C40 | C41 | C38 | H411 | 119.2° | 117.9° |
| C40 | C41 | C38 | H412 | 119.3° | 117.9° |
| C40 | C41 | C38 | H381 | 149.0° | 88.1° |
| C41 | C40 | H402 | H401 | 121.5° | 122.1° |
| C40 | C41 | H411 | H412 | 122.2° | 124.2° |
| C28 | C27 | C26 | C25 | 0.1° | 0.6° |
| C28 | C27 | C26 | H271 | 180.0° | 180.0° |
| C28 | C27 | C26 | H261 | 179.9° | 179.4° |
| C37 | C38 | C41 | H381 | 125.7° | 122.6° |
| C37 | C38 | C22 | H221 | 161.8° | 121.7° |
| C37 | C38 | C41 | H411 | 95.9° | 83.4° |
| C37 | C38 | C41 | H412 | 142.6° | 152.5° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C26 | C25 | C24 | H241 | 179.7° | 180.0° |
| C25 | C26 | C27 | H271 | 179.9° | 179.5° |
| C41 | C38 | C22 | H221 | 82.8° | 129.7° |
| C41 | C38 | C37 | H371 | 104.7° | 145.5° |
| C38 | C41 | C40 | H402 | 140.2° | 155.5° |
| C38 | C41 | C40 | H401 | 98.8° | 82.4° |
| C38 | C41 | H411 | H412 | 122.2° | 124.2° |
| C26 | C27 | C28 | H281 | 179.8° | 180.0° |
| C27 | C26 | C25 | H251 | 179.9° | 180.0° |
| H151 | C15 | C14 | H141 | 0.8° | 0.3° |
| H151 | C15 | C16 | H161 | 0.1° | 0.1° |
| H171 | C17 | C16 | H161 | 0.2° | 0.1° |
| H171 | C17 | C18 | H181 | 0.1° | 0.0° |
| H221 | C22 | C35 | H351 | 85.1° | 25.5° |
| H221 | C22 | C35 | H352 | 36.8° | 96.8° |
| H221 | C22 | C38 | H381 | 37.0° | 2.0° |
| H241 | C24 | C25 | H251 | 0.3° | 0.0° |
| H261 | C26 | C25 | H251 | 0.1° | 0.0° |
| H261 | C26 | C27 | H271 | 0.1° | 0.6° |
| H281 | C28 | C27 | H271 | 0.2° | 0.0° |
| H021 | C02 | C03 | H031 | 171.7° | 65.0° |
| H021 | C02 | C03 | H032 | 53.4° | 175.0° |
| H021 | C02 | C04 | H042 | 166.1° | 175.0° |
| H021 | C02 | C04 | H041 | 46.0° | 65.1° |
| H021 | C02 | N01 | H011 | 179.4° | 145.0° |
| H031 | C03 | C05 | H051 | 79.0° | 64.6° |
| H032 | C03 | C05 | H051 | 162.7° | 175.4° |
| H051 | C05 | C06 | H061 | 66.0° | 55.7° |
| H051 | C05 | O10 | H101 | 58.9° | 179.9° |
| H061 | C06 | C11 | H112 | 51.9° | 65.0° |
| H061 | C06 | C11 | H111 | 173.6° | 175.0° |
| H061 | C06 | N07 | H071 | 177.6° | 156.7° |
| H091 | C09 | C31 | H311 | 170.2° | 65.7° |
| H091 | C09 | N29 | H291 | 163.1° | 145.0° |
| H311 | C31 | C42 | H422 | 57.2° | 60.1° |
| H311 | C31 | C42 | H423 | 177.2° | 60.0° |
| H311 | C31 | C42 | H421 | 62.8° | 180.0° |
| H311 | C31 | C43 | H432 | 34.6° | 173.8° |
| H311 | C31 | C43 | H431 | 154.3° | 66.2° |
| H342 | C34 | H341 | H343 | 120.0° | 119.9° |
| H371 | C37 | C38 | H381 | 16.8° | 22.6° |
| H381 | C38 | C41 | H411 | 29.8° | 154.0° |
| H381 | C38 | C41 | H412 | 91.7° | 29.9° |
| H402 | C40 | C41 | H411 | 20.9° | 37.6° |
| H402 | C40 | C41 | H412 | 100.6° | 86.5° |
| H401 | C40 | C41 | H411 | 142.0° | 159.7° |
| H401 | C40 | C41 | H412 | 20.5° | 35.6° |
| H422 | C42 | H423 | H421 | 120.0° | 119.9° |
| H432 | C43 | C44 | H443 | 59.8° | 62.4° |
| H432 | C43 | C44 | H441 | 179.9° | 177.7° |
| H432 | C43 | C44 | H442 | 60.1° | 57.6° |
| H431 | C43 | C44 | H443 | 59.9° | 57.5° |
| H431 | C43 | C44 | H441 | 60.1° | 62.4° |
| H431 | C43 | C44 | H442 | 179.9° | 177.6° |
| H443 | C44 | H441 | H442 | 120.0° | 120.0° |
