OQY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | O32 | sing | 1.45Å | 1.38Å | |
| O33 | C30 | doub | 1.21Å | 1.17Å | |
| C30 | O32 | sing | 1.35Å | 1.42Å | |
| C30 | N29 | sing | 1.35Å | 1.50Å | |
| O10 | C05 | sing | 1.43Å | 1.44Å | |
| C18 | C17 | doub | 1.38Å | 1.52Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.54Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.51Å | Aromatic |
| C34 | C31 | sing | 1.53Å | 1.58Å | |
| N29 | C09 | sing | 1.46Å | 1.40Å | |
| C09 | C31 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C11 | C13 | sing | 1.51Å | 1.53Å | |
| C11 | C06 | sing | 1.53Å | 1.53Å | |
| N07 | C06 | sing | 1.46Å | 1.52Å | |
| N07 | C08 | sing | 1.35Å | 1.49Å | |
| C13 | C14 | doub | 1.38Å | 1.50Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.48Å | |
| C05 | C03 | sing | 1.53Å | 1.55Å | |
| C31 | C36 | sing | 1.53Å | 1.55Å | |
| C31 | C35 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | doub | 1.38Å | 1.54Å | Aromatic |
| C08 | O12 | doub | 1.21Å | 1.19Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.38Å | 1.51Å | Aromatic |
| C02 | N01 | sing | 1.46Å | 1.48Å | |
| C02 | C04 | sing | 1.53Å | 1.51Å | |
| N01 | C19 | sing | 1.35Å | 1.46Å | |
| C04 | C23 | sing | 1.51Å | 1.61Å | |
| C19 | O21 | sing | 1.35Å | 1.43Å | |
| C19 | O20 | doub | 1.22Å | 1.18Å | |
| O21 | C22 | sing | 1.45Å | 1.50Å | |
| O39 | C38 | sing | 1.44Å | 1.63Å | |
| O39 | C40 | sing | 1.44Å | 1.32Å | |
| C38 | C22 | sing | 1.54Å | 1.32Å | |
| C23 | C28 | doub | 1.38Å | 1.49Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.57Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.53Å | Aromatic |
| C22 | C41 | sing | 1.54Å | 1.55Å | |
| O42 | C43 | sing | 1.44Å | 1.35Å | |
| O42 | C40 | sing | 1.43Å | 1.48Å | |
| C43 | C44 | sing | 1.55Å | 1.59Å | |
| C40 | C41 | sing | 1.55Å | 1.57Å | |
| C24 | C25 | doub | 1.38Å | 1.51Å | Aromatic |
| C41 | C44 | sing | 1.55Å | 1.30Å | |
| C27 | C26 | doub | 1.38Å | 1.55Å | Aromatic |
| C25 | 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 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | 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 | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | 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) |
| C37 | O32 | C30 | 114.2° | 117.0° |
| O32 | C37 | H373 | 109.5° | 109.4° |
| O32 | C37 | H371 | 109.5° | 109.5° |
| O32 | C37 | H372 | 109.5° | 109.5° |
| O33 | C30 | O32 | 124.3° | 120.0° |
| O33 | C30 | N29 | 122.4° | 120.0° |
| O32 | C30 | N29 | 113.2° | 120.0° |
| C30 | N29 | C09 | 119.8° | 120.0° |
| C30 | N29 | H291 | 120.1° | 120.0° |
| O10 | C05 | C06 | 112.8° | 109.4° |
| O10 | C05 | C03 | 106.7° | 109.5° |
| O10 | C05 | H051 | 109.4° | 109.5° |
| C05 | O10 | H101 | 109.5° | 114.0° |
| C17 | C18 | C13 | 119.7° | 120.0° |
| C18 | C17 | C16 | 119.2° | 120.0° |
| C18 | C17 | H171 | 120.4° | 120.0° |
| C17 | C18 | H181 | 120.1° | 120.0° |
| C18 | C13 | C11 | 120.2° | 120.0° |
| C18 | C13 | C14 | 121.2° | 120.0° |
| C13 | C18 | H181 | 120.1° | 120.0° |
| C17 | C16 | C15 | 120.5° | 120.0° |
| C16 | C17 | H171 | 120.4° | 120.0° |
| C17 | C16 | H161 | 119.8° | 120.0° |
| C34 | C31 | C09 | 108.2° | 109.5° |
| C34 | C31 | C36 | 107.2° | 109.4° |
| C34 | C31 | C35 | 111.3° | 109.5° |
| C31 | C34 | H341 | 109.5° | 109.5° |
| C31 | C34 | H342 | 109.5° | 109.5° |
| C31 | C34 | H343 | 109.5° | 109.5° |
| N29 | C09 | C31 | 111.1° | 109.5° |
| N29 | C09 | C08 | 107.2° | 109.5° |
| N29 | C09 | H091 | 109.4° | 109.4° |
| C09 | N29 | H291 | 120.1° | 120.0° |
| C31 | C09 | C08 | 113.9° | 109.5° |
| C09 | C31 | C36 | 108.0° | 109.5° |
| C09 | C31 | C35 | 112.0° | 109.5° |
| C31 | C09 | H091 | 107.6° | 109.5° |
| C09 | C08 | N07 | 111.8° | 120.0° |
| C09 | C08 | O12 | 125.9° | 120.0° |
| C08 | C09 | H091 | 107.6° | 109.5° |
| C13 | C11 | C06 | 108.8° | 109.5° |
| C11 | C13 | C14 | 118.6° | 120.0° |
| C13 | C11 | H112 | 109.6° | 109.5° |
| C13 | C11 | H111 | 109.7° | 109.5° |
| C11 | C06 | N07 | 106.8° | 109.5° |
| C11 | C06 | C05 | 106.9° | 109.5° |
| C11 | C06 | H061 | 110.2° | 109.5° |
| C06 | C11 | H112 | 109.7° | 109.5° |
| C06 | C11 | H111 | 109.7° | 109.5° |
| C06 | N07 | C08 | 122.0° | 120.0° |
| N07 | C06 | C05 | 111.2° | 109.5° |
| N07 | C06 | H061 | 110.5° | 109.5° |
| C06 | N07 | H071 | 119.0° | 120.0° |
| N07 | C08 | O12 | 122.3° | 120.0° |
| C08 | N07 | H071 | 119.0° | 120.0° |
| C13 | C14 | C15 | 118.8° | 120.0° |
| C13 | C14 | H141 | 120.6° | 120.0° |
| C06 | C05 | C03 | 111.0° | 109.5° |
| C06 | C05 | H051 | 108.8° | 109.5° |
| C05 | C06 | H061 | 111.0° | 109.4° |
| C05 | C03 | C02 | 112.7° | 109.5° |
| C05 | C03 | H032 | 108.7° | 109.4° |
| C05 | C03 | H031 | 108.7° | 109.5° |
| C03 | C05 | H051 | 108.0° | 109.5° |
| C36 | C31 | C35 | 110.0° | 109.5° |
| C31 | C36 | H363 | 109.5° | 109.5° |
| C31 | C36 | H362 | 109.4° | 109.4° |
| C31 | C36 | H361 | 109.5° | 109.4° |
| C31 | C35 | H353 | 109.5° | 109.4° |
| C31 | C35 | H352 | 109.5° | 109.5° |
| C31 | C35 | H351 | 109.5° | 109.5° |
| C16 | C15 | C14 | 120.6° | 120.0° |
| C16 | C15 | H151 | 119.7° | 120.0° |
| C15 | C16 | H161 | 119.7° | 120.0° |
| C03 | C02 | N01 | 111.0° | 109.5° |
| C03 | C02 | C04 | 105.8° | 109.5° |
| C03 | C02 | H021 | 110.4° | 109.4° |
| C02 | C03 | H032 | 108.6° | 109.5° |
| C02 | C03 | H031 | 108.6° | 109.5° |
| C14 | C15 | H151 | 119.7° | 120.0° |
| C15 | C14 | H141 | 120.6° | 120.0° |
| N01 | C02 | C04 | 107.8° | 109.5° |
| C02 | N01 | C19 | 122.9° | 120.0° |
| N01 | C02 | H021 | 111.0° | 109.5° |
| C02 | N01 | H011 | 118.5° | 120.0° |
| C02 | C04 | C23 | 113.1° | 109.4° |
| C04 | C02 | H021 | 110.6° | 109.5° |
| C02 | C04 | H042 | 108.5° | 109.5° |
| C02 | C04 | H041 | 108.5° | 109.5° |
| N01 | C19 | O21 | 110.7° | 120.0° |
| N01 | C19 | O20 | 124.5° | 120.0° |
| C19 | N01 | H011 | 118.6° | 120.0° |
| C04 | C23 | C28 | 120.9° | 120.0° |
| C04 | C23 | C24 | 119.0° | 120.0° |
| C23 | C04 | H042 | 108.6° | 109.5° |
| C23 | C04 | H041 | 108.6° | 109.5° |
| O21 | C19 | O20 | 124.8° | 120.0° |
| C19 | O21 | C22 | 117.3° | 117.0° |
| O21 | C22 | C38 | 107.1° | 110.6° |
| O21 | C22 | C41 | 108.2° | 110.5° |
| O21 | C22 | H221 | 111.5° | 110.5° |
| C38 | O39 | C40 | 105.6° | 106.1° |
| O39 | C38 | C22 | 104.1° | 104.8° |
| O39 | C38 | H382 | 110.8° | 110.4° |
| O39 | C38 | H381 | 110.8° | 110.5° |
| O39 | C40 | O42 | 112.0° | 109.1° |
| O39 | C40 | C41 | 108.6° | 104.9° |
| O39 | C40 | H401 | 112.5° | 111.7° |
| C38 | C22 | C41 | 104.5° | 104.1° |
| C38 | C22 | H221 | 114.5° | 110.5° |
| C22 | C38 | H382 | 110.8° | 110.4° |
| C22 | C38 | H381 | 110.8° | 110.4° |
| C28 | C23 | C24 | 120.1° | 120.0° |
| C23 | C28 | C27 | 120.2° | 120.0° |
| C23 | C28 | H281 | 119.9° | 119.9° |
| C23 | C24 | C25 | 119.5° | 120.0° |
| C23 | C24 | H241 | 120.2° | 120.0° |
| C28 | C27 | C26 | 119.9° | 120.0° |
| C27 | C28 | H281 | 119.9° | 120.0° |
| C28 | C27 | H271 | 120.0° | 120.0° |
| C22 | C41 | C40 | 101.6° | 104.4° |
| C22 | C41 | C44 | 115.0° | 109.1° |
| C41 | C22 | H221 | 110.7° | 110.5° |
| C22 | C41 | H411 | 109.6° | 113.1° |
| C43 | O42 | C40 | 108.7° | 110.2° |
| O42 | C43 | C44 | 106.1° | 105.5° |
| O42 | C43 | H432 | 110.3° | 110.8° |
| O42 | C43 | H431 | 110.3° | 109.6° |
| O42 | C40 | C41 | 104.8° | 107.1° |
| O42 | C40 | H401 | 109.9° | 111.8° |
| C43 | C44 | C41 | 106.9° | 101.0° |
| C44 | C43 | H432 | 110.3° | 110.3° |
| C44 | C43 | H431 | 110.3° | 110.3° |
| C43 | C44 | H442 | 110.1° | 111.1° |
| C43 | C44 | H441 | 110.1° | 111.1° |
| C40 | C41 | C44 | 107.0° | 102.2° |
| C41 | C40 | H401 | 108.7° | 111.8° |
| C40 | C41 | H411 | 109.3° | 113.4° |
| C24 | C25 | C26 | 120.3° | 120.0° |
| C25 | C24 | H241 | 120.3° | 120.1° |
| C24 | C25 | H251 | 119.9° | 120.0° |
| C44 | C41 | H411 | 113.5° | 113.8° |
| C41 | C44 | H442 | 110.1° | 111.1° |
| C41 | C44 | H441 | 110.1° | 111.1° |
| C27 | C26 | C25 | 119.9° | 120.0° |
| C27 | C26 | H261 | 120.0° | 120.1° |
| C26 | C27 | H271 | 120.0° | 119.9° |
| C25 | C26 | H261 | 120.0° | 120.0° |
| C26 | C25 | H251 | 119.8° | 119.9° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.4° | 109.4° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H341 | C34 | H343 | 109.5° | 109.4° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H353 | C35 | H352 | 109.5° | 109.5° |
| H353 | C35 | H351 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H363 | C36 | H362 | 109.4° | 109.5° |
| H363 | C36 | H361 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.4° |
| H373 | C37 | H371 | 109.5° | 109.5° |
| H373 | C37 | H372 | 109.5° | 109.4° |
| H371 | C37 | H372 | 109.4° | 109.5° |
| H382 | C38 | H381 | 109.5° | 110.3° |
| H432 | C43 | H431 | 109.5° | 110.3° |
| H442 | C44 | H441 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | O32 | C30 | O33 | 21.3° | 0.0° |
| C37 | O32 | C30 | N29 | 159.0° | 180.0° |
| O32 | C37 | H373 | H371 | 120.0° | 120.0° |
| O32 | C37 | H373 | H372 | 120.0° | 120.0° |
| O32 | C37 | H371 | H372 | 120.0° | 120.0° |
| O33 | C30 | O32 | N29 | 179.7° | 180.0° |
| O33 | C30 | N29 | C09 | 4.9° | 0.0° |
| O33 | C30 | N29 | H291 | 175.2° | 180.0° |
| O32 | C30 | N29 | C09 | 174.9° | 180.0° |
| C30 | O32 | C37 | H373 | 180.0° | 60.1° |
| C30 | O32 | C37 | H371 | 60.0° | 60.0° |
| C30 | O32 | C37 | H372 | 60.0° | 180.0° |
| O32 | C30 | N29 | H291 | 5.1° | 0.0° |
| C30 | N29 | C09 | H291 | 180.0° | 180.0° |
| C30 | N29 | C09 | C31 | 110.7° | 85.0° |
| C30 | N29 | C09 | C08 | 124.2° | 155.0° |
| C30 | N29 | C09 | H091 | 7.9° | 35.0° |
| O10 | C05 | C06 | C11 | 61.1° | 60.0° |
| O10 | C05 | C06 | N07 | 55.2° | 60.0° |
| O10 | C05 | C06 | C03 | 119.7° | 120.0° |
| O10 | C05 | C06 | H051 | 121.6° | 120.0° |
| O10 | C05 | C03 | H051 | 117.5° | 120.0° |
| O10 | C05 | C03 | C02 | 163.0° | 65.0° |
| O10 | C05 | C03 | H032 | 42.5° | 175.0° |
| O10 | C05 | C03 | H031 | 76.5° | 55.0° |
| O10 | C05 | C06 | H061 | 178.7° | 180.0° |
| C17 | C18 | C13 | H181 | 180.0° | 179.9° |
| C18 | C17 | C16 | H171 | 180.0° | 179.2° |
| C17 | C18 | C13 | C11 | 179.8° | 179.7° |
| C17 | C18 | C13 | C14 | 0.7° | 0.0° |
| C18 | C17 | C16 | C15 | 0.7° | 0.9° |
| C18 | C17 | C16 | H161 | 179.4° | 179.1° |
| C13 | C18 | C17 | C16 | 1.0° | 0.6° |
| C18 | C13 | C11 | C14 | 179.5° | 179.7° |
| C18 | C13 | C11 | C06 | 102.5° | 90.3° |
| C18 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C18 | C17 | H171 | 179.1° | 179.7° |
| C18 | C13 | C11 | H112 | 137.6° | 29.7° |
| C18 | C13 | C11 | H111 | 17.4° | 149.7° |
| C18 | C13 | C14 | H141 | 179.9° | 179.8° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.5° |
| C17 | C16 | C15 | H151 | 180.0° | 179.5° |
| C16 | C17 | C18 | H181 | 179.0° | 179.5° |
| C34 | C31 | C09 | N29 | 69.3° | 65.6° |
| C34 | C31 | C09 | C36 | 115.7° | 120.0° |
| C34 | C31 | C09 | C35 | 123.0° | 120.0° |
| C34 | C31 | C09 | C08 | 169.5° | 174.3° |
| C34 | C31 | C36 | C35 | 121.1° | 120.0° |
| C34 | C31 | C09 | H091 | 50.3° | 54.3° |
| C31 | C34 | H341 | H342 | 120.0° | 120.1° |
| C31 | C34 | H341 | H343 | 120.0° | 120.0° |
| C31 | C34 | H342 | H343 | 120.0° | 120.1° |
| C34 | C31 | C35 | H353 | 180.0° | 180.0° |
| C34 | C31 | C35 | H352 | 60.0° | 60.0° |
| C34 | C31 | C35 | H351 | 60.0° | 60.0° |
| C34 | C31 | C36 | H363 | 180.0° | 58.8° |
| C34 | C31 | C36 | H362 | 60.0° | 61.3° |
| C34 | C31 | C36 | H361 | 60.0° | 178.8° |
| N29 | C09 | C31 | C08 | 121.2° | 120.0° |
| N29 | C09 | C31 | H091 | 119.6° | 119.9° |
| N29 | C09 | C08 | H091 | 117.5° | 120.0° |
| N29 | C09 | C08 | N07 | 109.9° | 152.4° |
| N29 | C09 | C31 | C36 | 175.0° | 174.4° |
| N29 | C09 | C31 | C35 | 53.7° | 54.3° |
| N29 | C09 | C08 | O12 | 71.3° | 27.7° |
| C31 | C09 | C08 | H091 | 119.1° | 120.0° |
| C31 | C09 | C08 | N07 | 126.7° | 87.6° |
| C09 | C31 | C36 | C35 | 122.5° | 120.0° |
| C31 | C09 | C08 | O12 | 52.0° | 92.3° |
| C09 | C31 | C34 | H341 | 180.0° | 60.0° |
| C09 | C31 | C34 | H342 | 60.0° | 180.0° |
| C09 | C31 | C34 | H343 | 60.0° | 60.0° |
| C09 | C31 | C35 | H353 | 58.7° | 60.0° |
| C09 | C31 | C35 | H352 | 178.8° | 180.0° |
| C09 | C31 | C35 | H351 | 61.3° | 60.0° |
| C09 | C31 | C36 | H363 | 63.6° | 61.2° |
| C09 | C31 | C36 | H362 | 56.4° | 178.7° |
| C09 | C31 | C36 | H361 | 176.4° | 58.8° |
| C31 | C09 | N29 | H291 | 69.3° | 95.0° |
| C09 | C08 | N07 | C06 | 178.6° | 174.5° |
| C09 | C08 | N07 | O12 | 178.8° | 179.9° |
| C08 | C09 | C31 | C36 | 53.8° | 54.4° |
| C08 | C09 | C31 | C35 | 67.5° | 65.7° |
| C09 | C08 | N07 | H071 | 1.4° | 5.5° |
| C08 | C09 | N29 | H291 | 55.7° | 25.0° |
| C13 | C11 | C06 | H112 | 119.9° | 120.0° |
| C13 | C11 | C06 | H111 | 119.9° | 120.0° |
| C13 | C11 | C06 | N07 | 56.5° | 65.0° |
| C13 | C11 | C06 | C05 | 175.7° | 175.0° |
| C11 | C13 | C14 | C15 | 179.6° | 180.0° |
| C13 | C11 | C06 | H061 | 63.5° | 55.0° |
| C13 | C11 | H112 | H111 | 120.3° | 120.0° |
| C11 | C13 | C14 | H141 | 0.4° | 0.1° |
| C11 | C13 | C18 | H181 | 0.2° | 0.2° |
| C11 | C06 | N07 | C05 | 116.4° | 120.0° |
| C11 | C06 | N07 | H061 | 119.9° | 120.0° |
| C11 | C06 | N07 | C08 | 116.3° | 85.0° |
| C06 | C11 | C13 | C14 | 77.0° | 90.0° |
| C11 | C06 | C05 | H061 | 120.3° | 120.0° |
| C11 | C06 | C05 | C03 | 179.2° | NaN° |
| C11 | C06 | C05 | H051 | 60.6° | 60.0° |
| C06 | C11 | H112 | H111 | 120.3° | 120.0° |
| C11 | C06 | N07 | H071 | 63.7° | 95.0° |
| C06 | N07 | C08 | H071 | 180.0° | 180.0° |
| N07 | C06 | C05 | H061 | 123.4° | 120.0° |
| N07 | C06 | C05 | C03 | 64.5° | 60.0° |
| C06 | N07 | C08 | O12 | 2.6° | 5.6° |
| N07 | C06 | C05 | H051 | 176.8° | 180.0° |
| N07 | C06 | C11 | H112 | 176.4° | 175.0° |
| N07 | C06 | C11 | H111 | 63.4° | 55.0° |
| C08 | N07 | C06 | C05 | 127.3° | 155.0° |
| C08 | N07 | C06 | H061 | 3.6° | 35.1° |
| N07 | C08 | C09 | H091 | 7.6° | 32.4° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | H151 | 179.7° | 179.9° |
| C14 | C13 | C11 | H112 | 42.9° | 149.9° |
| C14 | C13 | C11 | H111 | 163.1° | 30.0° |
| C14 | C13 | C18 | H181 | 179.3° | 179.9° |
| C06 | C05 | C03 | H051 | 119.2° | 120.0° |
| C06 | C05 | C03 | C02 | 73.7° | 175.0° |
| C06 | C05 | C03 | H032 | 165.8° | 55.0° |
| C06 | C05 | C03 | H031 | 46.8° | 65.0° |
| C05 | C06 | C11 | H112 | 64.4° | 54.9° |
| C05 | C06 | C11 | H111 | 55.8° | 65.0° |
| C05 | C06 | N07 | H071 | 52.7° | 25.0° |
| C06 | C05 | O10 | H101 | 180.0° | 60.0° |
| C05 | C03 | C02 | H032 | 120.5° | 120.0° |
| C05 | C03 | C02 | H031 | 120.5° | 120.0° |
| C05 | C03 | C02 | N01 | 53.4° | 65.0° |
| C05 | C03 | C02 | C04 | 170.1° | 175.0° |
| C05 | C03 | C02 | H021 | 70.2° | 55.0° |
| C05 | C03 | H032 | H031 | 118.5° | 120.0° |
| C03 | C05 | C06 | H061 | 58.9° | 60.0° |
| C03 | C05 | O10 | H101 | 57.8° | 60.0° |
| C36 | C31 | C09 | H091 | 65.4° | 65.7° |
| C36 | C31 | C34 | H341 | 63.8° | 180.0° |
| C36 | C31 | C34 | H342 | 56.2° | 60.0° |
| C36 | C31 | C34 | H343 | 176.2° | 60.0° |
| C36 | C31 | C35 | H353 | 61.3° | 60.0° |
| C36 | C31 | C35 | H352 | 58.7° | 60.0° |
| C36 | C31 | C35 | H351 | 178.7° | 180.0° |
| C31 | C36 | H363 | H362 | 120.0° | 120.0° |
| C31 | C36 | H363 | H361 | 120.0° | 120.0° |
| C31 | C36 | H362 | H361 | 120.0° | 119.9° |
| C35 | C31 | C09 | H091 | 173.3° | 174.3° |
| C35 | C31 | C34 | H341 | 56.6° | 60.0° |
| C35 | C31 | C34 | H342 | 176.6° | 60.0° |
| C35 | C31 | C34 | H343 | 63.4° | 180.0° |
| C31 | C35 | H353 | H352 | 120.0° | 120.0° |
| C31 | C35 | H353 | H351 | 120.0° | 120.0° |
| C31 | C35 | H352 | H351 | 120.0° | 120.0° |
| C35 | C31 | C36 | H363 | 58.9° | 178.8° |
| C35 | C31 | C36 | H362 | 178.8° | 58.7° |
| C35 | C31 | C36 | H361 | 61.2° | 61.2° |
| C16 | C15 | C14 | H151 | 180.0° | 179.9° |
| C15 | C16 | C17 | H171 | 179.4° | 180.0° |
| C16 | C15 | C14 | H141 | 179.8° | 179.9° |
| O12 | C08 | C09 | H091 | 171.1° | 147.7° |
| O12 | C08 | N07 | H071 | 177.4° | 174.4° |
| C03 | C02 | N01 | C04 | 115.5° | 120.0° |
| C03 | C02 | N01 | H021 | 123.2° | 119.9° |
| C03 | C02 | C04 | H021 | 119.6° | 119.9° |
| C03 | C02 | N01 | C19 | 118.7° | 155.0° |
| C03 | C02 | C04 | C23 | 167.5° | 175.0° |
| C02 | C03 | H032 | H031 | 118.5° | 120.0° |
| C03 | C02 | C04 | H042 | 46.9° | 65.0° |
| C03 | C02 | C04 | H041 | 72.0° | 55.0° |
| C02 | C03 | C05 | H051 | 45.5° | 55.0° |
| C03 | C02 | N01 | H011 | 61.3° | 25.0° |
| C14 | C15 | C16 | H161 | 180.0° | 179.4° |
| N01 | C02 | C04 | H021 | 121.6° | 120.1° |
| C02 | N01 | C19 | H011 | 180.0° | 180.0° |
| N01 | C02 | C04 | C23 | 48.6° | 65.0° |
| C02 | N01 | C19 | O21 | 175.8° | 180.0° |
| C02 | N01 | C19 | O20 | 4.1° | 0.0° |
| N01 | C02 | C03 | H032 | 67.1° | 175.0° |
| N01 | C02 | C03 | H031 | 173.8° | 55.0° |
| N01 | C02 | C04 | H042 | 71.9° | 55.0° |
| N01 | C02 | C04 | H041 | 169.2° | 175.0° |
| C04 | C02 | N01 | C19 | 125.8° | 85.0° |
| C02 | C04 | C23 | H042 | 120.5° | 120.0° |
| C02 | C04 | C23 | H041 | 120.5° | 120.0° |
| C02 | C04 | C23 | C28 | 105.8° | 90.0° |
| C02 | C04 | C23 | C24 | 75.4° | 90.0° |
| C04 | C02 | C03 | H032 | 49.6° | 55.0° |
| C04 | C02 | C03 | H031 | 69.4° | 65.0° |
| C02 | C04 | H042 | H041 | 118.3° | 120.0° |
| C04 | C02 | N01 | H011 | 54.2° | 95.0° |
| N01 | C19 | O21 | O20 | 179.9° | 180.0° |
| N01 | C19 | O21 | C22 | 161.3° | 180.0° |
| C19 | N01 | C02 | H021 | 4.5° | 35.0° |
| C04 | C23 | C28 | C24 | 178.8° | 180.0° |
| C04 | C23 | C28 | C27 | 179.3° | 179.5° |
| C04 | C23 | C24 | C25 | 179.5° | 180.0° |
| C04 | C23 | C24 | H241 | 0.5° | 0.3° |
| C04 | C23 | C28 | H281 | 0.7° | 0.3° |
| C23 | C04 | C02 | H021 | 72.9° | 55.1° |
| C23 | C04 | H042 | H041 | 118.4° | 120.0° |
| C19 | O21 | C22 | C38 | 141.4° | 95.3° |
| C19 | O21 | C22 | C41 | 106.5° | 150.0° |
| C19 | O21 | C22 | H221 | 15.5° | 27.4° |
| O21 | C19 | N01 | H011 | 4.2° | 0.0° |
| O20 | C19 | O21 | C22 | 18.8° | 0.0° |
| O20 | C19 | N01 | H011 | 175.9° | 180.0° |
| O21 | C22 | C38 | O39 | 75.3° | 93.1° |
| O21 | C22 | C38 | C41 | 114.7° | 118.7° |
| O21 | C22 | C38 | H221 | 124.1° | 122.7° |
| O21 | C22 | C41 | H221 | 122.4° | 122.6° |
| O21 | C22 | C41 | C40 | 80.8° | 115.7° |
| O21 | C22 | C41 | C44 | 34.3° | 7.1° |
| O21 | C22 | C38 | H382 | 43.9° | 148.0° |
| O21 | C22 | C38 | H381 | 165.6° | 25.8° |
| O21 | C22 | C41 | H411 | 163.7° | 120.6° |
| O39 | C38 | C22 | H382 | 119.1° | 118.9° |
| O39 | C38 | C22 | H381 | 119.1° | 118.9° |
| O39 | C38 | C22 | C41 | 39.4° | 25.6° |
| C38 | O39 | C40 | O42 | 126.2° | 152.4° |
| C38 | O39 | C40 | C41 | 11.0° | 37.9° |
| O39 | C38 | C22 | H221 | 160.7° | 144.2° |
| O39 | C38 | H382 | H381 | 122.5° | 122.4° |
| C38 | O39 | C40 | H401 | 109.4° | 83.4° |
| C40 | O39 | C38 | C22 | 33.7° | 40.1° |
| O39 | C40 | C41 | C22 | 10.8° | 20.4° |
| O39 | C40 | O42 | C43 | 111.5° | 113.0° |
| O39 | C40 | O42 | C41 | 117.5° | 113.1° |
| O39 | C40 | O42 | H401 | 125.8° | 124.1° |
| O39 | C40 | C41 | H401 | 122.8° | 121.3° |
| O39 | C40 | C41 | C44 | 131.7° | 93.2° |
| C40 | O39 | C38 | H382 | 152.9° | 78.8° |
| C40 | O39 | C38 | H381 | 85.4° | 158.9° |
| O39 | C40 | C41 | H411 | 105.0° | 143.9° |
| C38 | C22 | C41 | H221 | 123.7° | 118.6° |
| C38 | C22 | C41 | C40 | 33.1° | 3.1° |
| C38 | C22 | C41 | C44 | 148.2° | 111.7° |
| C22 | C38 | H382 | H381 | 122.5° | 122.3° |
| C38 | C22 | C41 | H411 | 82.5° | 120.6° |
| C23 | C28 | C27 | H281 | 180.0° | 179.1° |
| C28 | C23 | C24 | C25 | 0.7° | 0.0° |
| C23 | C28 | C27 | C26 | 0.0° | 0.8° |
| C28 | C23 | C24 | H241 | 179.3° | 179.7° |
| C28 | C23 | C04 | H042 | 14.8° | 30.0° |
| C28 | C23 | C04 | H041 | 133.7° | 150.0° |
| C23 | C28 | C27 | H271 | 180.0° | 179.1° |
| C24 | C23 | C28 | C27 | 0.5° | 0.5° |
| C23 | C24 | C25 | H241 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 0.4° | 0.3° |
| C24 | C23 | C28 | H281 | 179.5° | 179.7° |
| C24 | C23 | C04 | H042 | 164.1° | 150.0° |
| C24 | C23 | C04 | H041 | 45.1° | 30.0° |
| C23 | C24 | C25 | H251 | 179.6° | 179.7° |
| C28 | C27 | C26 | H271 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.3° | 0.5° |
| C28 | C27 | C26 | H261 | 179.7° | 179.4° |
| C22 | C41 | C40 | O42 | 109.0° | 136.3° |
| C22 | C41 | C44 | C43 | 89.6° | 144.6° |
| C22 | C41 | C40 | C44 | 120.9° | 113.6° |
| C22 | C41 | C40 | H411 | 115.8° | 123.5° |
| C22 | C41 | C44 | H411 | 127.4° | 127.3° |
| C41 | C22 | C38 | H382 | 158.6° | 93.2° |
| C41 | C22 | C38 | H381 | 79.7° | 144.5° |
| C22 | C41 | C40 | H401 | 133.6° | 100.9° |
| C22 | C41 | C44 | H442 | 150.8° | 26.6° |
| C22 | C41 | C44 | H441 | 30.1° | 97.5° |
| O42 | C43 | C44 | H432 | 119.4° | 119.7° |
| O42 | C43 | C44 | H431 | 119.5° | 118.3° |
| C43 | O42 | C40 | C41 | 6.0° | 0.1° |
| O42 | C43 | C44 | C41 | 27.3° | 35.9° |
| C43 | O42 | C40 | H401 | 122.6° | 122.9° |
| O42 | C43 | H432 | H431 | 121.5° | 121.5° |
| O42 | C43 | C44 | H442 | 92.3° | 82.1° |
| O42 | C43 | C44 | H441 | 146.9° | 153.8° |
| C40 | O42 | C43 | C44 | 18.6° | 22.9° |
| O42 | C40 | C41 | H401 | 117.4° | 122.8° |
| O42 | C40 | C41 | C44 | 12.0° | 22.7° |
| O42 | C40 | C41 | H411 | 135.3° | 100.2° |
| C40 | O42 | C43 | H432 | 138.0° | 142.2° |
| C40 | O42 | C43 | H431 | 100.9° | 95.9° |
| C43 | C44 | C41 | C40 | 22.4° | 34.5° |
| C43 | C44 | C41 | H442 | 119.6° | 117.9° |
| C43 | C44 | C41 | H441 | 119.6° | 118.0° |
| C43 | C44 | C41 | H411 | 143.1° | 88.1° |
| C44 | C43 | H432 | H431 | 121.6° | 122.1° |
| C43 | C44 | H442 | H441 | 121.2° | 124.2° |
| C40 | C41 | C44 | H411 | 120.6° | 122.6° |
| C40 | C41 | C22 | H221 | 156.8° | 121.7° |
| C40 | C41 | C44 | H442 | 97.2° | 83.4° |
| C40 | C41 | C44 | H441 | 142.0° | 152.5° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | H261 | 179.9° | 180.0° |
| C44 | C41 | C22 | H221 | 88.1° | 129.7° |
| C44 | C41 | C40 | H401 | 105.5° | 145.5° |
| C41 | C44 | C43 | H432 | 146.7° | 155.5° |
| C41 | C44 | C43 | H431 | 92.2° | 82.4° |
| C41 | C44 | H442 | H441 | 121.2° | 124.2° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C26 | C27 | C28 | H281 | 180.0° | 179.9° |
| C27 | C26 | C25 | H251 | 179.9° | 179.9° |
| C26 | C25 | C24 | H241 | 179.6° | 180.0° |
| C25 | C26 | C27 | H271 | 179.6° | 179.4° |
| H151 | C15 | C14 | H141 | 0.3° | 0.0° |
| H151 | C15 | C16 | H161 | 0.0° | 0.5° |
| H171 | C17 | C16 | H161 | 0.6° | 0.1° |
| H171 | C17 | C18 | H181 | 1.0° | 0.3° |
| H221 | C22 | C38 | H382 | 80.2° | 25.4° |
| H221 | C22 | C38 | H381 | 41.5° | 96.9° |
| H221 | C22 | C41 | H411 | 41.2° | 2.0° |
| H241 | C24 | C25 | H251 | 0.4° | 0.1° |
| H261 | C26 | C25 | H251 | 0.2° | 0.0° |
| H261 | C26 | C27 | H271 | 0.4° | 0.7° |
| H281 | C28 | C27 | H271 | 0.0° | 0.0° |
| H021 | C02 | C03 | H032 | 169.3° | 65.0° |
| H021 | C02 | C03 | H031 | 50.3° | 175.0° |
| H021 | C02 | C04 | H042 | 166.5° | 175.1° |
| H021 | C02 | C04 | H041 | 47.6° | 64.9° |
| H021 | C02 | N01 | H011 | 175.5° | 144.9° |
| H032 | C03 | C05 | H051 | 75.0° | 65.0° |
| H031 | C03 | C05 | H051 | 165.9° | 175.0° |
| H051 | C05 | C06 | H061 | 59.7° | 60.0° |
| H051 | C05 | O10 | H101 | 58.8° | 180.0° |
| H061 | C06 | C11 | H112 | 56.4° | 65.0° |
| H061 | C06 | C11 | H111 | 176.6° | 175.1° |
| H061 | C06 | N07 | H071 | 176.4° | 144.9° |
| H091 | C09 | N29 | H291 | 172.1° | 145.0° |
| H341 | C34 | H342 | H343 | 120.0° | 119.9° |
| H353 | C35 | H352 | H351 | 120.0° | 120.1° |
| H363 | C36 | H362 | H361 | 120.0° | 120.0° |
| H373 | C37 | H371 | H372 | 120.0° | 120.0° |
| H401 | C40 | C41 | H411 | 17.8° | 22.6° |
| H411 | C41 | C44 | H442 | 23.5° | 154.0° |
| H411 | C41 | C44 | H441 | 97.3° | 29.9° |
| H432 | C43 | C44 | H442 | 27.1° | 37.6° |
| H432 | C43 | C44 | H441 | 93.7° | 86.5° |
| H431 | C43 | C44 | H442 | 148.2° | 159.7° |
| H431 | C43 | C44 | H441 | 27.4° | 35.6° |
