OPJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O29 | sing | 1.45Å | 1.41Å | |
| O29 | C28 | sing | 1.35Å | 1.41Å | |
| C14 | C15 | doub | 1.38Å | 1.53Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.52Å | Aromatic |
| C28 | N27 | sing | 1.35Å | 1.47Å | |
| C28 | O30 | doub | 1.22Å | 1.19Å | |
| C15 | C16 | sing | 1.38Å | 1.53Å | Aromatic |
| O10 | C05 | sing | 1.43Å | 1.39Å | |
| N27 | C09 | sing | 1.46Å | 1.48Å | |
| C11 | C13 | sing | 1.51Å | 1.53Å | |
| C11 | C06 | sing | 1.53Å | 1.54Å | |
| C13 | C18 | doub | 1.38Å | 1.53Å | Aromatic |
| N07 | C06 | sing | 1.46Å | 1.45Å | |
| N07 | C08 | sing | 1.35Å | 1.48Å | |
| C16 | C17 | doub | 1.38Å | 1.53Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C05 | C03 | sing | 1.53Å | 1.54Å | |
| C09 | C42 | sing | 1.54Å | 1.56Å | |
| C09 | C08 | sing | 1.51Å | 1.46Å | |
| C09 | C39 | sing | 1.54Å | 1.59Å | |
| C42 | C41 | sing | 1.55Å | 1.37Å | |
| C41 | C40 | sing | 1.55Å | 1.65Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C08 | O12 | doub | 1.21Å | 1.19Å | |
| C18 | C17 | sing | 1.38Å | 1.53Å | Aromatic |
| C39 | C40 | sing | 1.54Å | 1.35Å | |
| C02 | N01 | sing | 1.47Å | 1.46Å | |
| C02 | C04 | sing | 1.53Å | 1.52Å | |
| N01 | C19 | sing | 1.35Å | 1.48Å | |
| C04 | C23 | sing | 1.51Å | 1.57Å | |
| C19 | O21 | sing | 1.35Å | 1.43Å | |
| C19 | O20 | doub | 1.21Å | 1.19Å | |
| O21 | C22 | sing | 1.45Å | 1.50Å | |
| O33 | C32 | sing | 1.44Å | 1.50Å | |
| O33 | C34 | sing | 1.44Å | 1.54Å | |
| C32 | C22 | sing | 1.54Å | 1.23Å | |
| C23 | C24 | doub | 1.38Å | 1.53Å | Aromatic |
| C23 | C26 | sing | 1.38Å | 1.53Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.54Å | Aromatic |
| C22 | C35 | sing | 1.54Å | 1.64Å | |
| O36 | C37 | sing | 1.44Å | 1.29Å | |
| O36 | C34 | sing | 1.43Å | 1.62Å | |
| C37 | C38 | sing | 1.55Å | 1.45Å | |
| C34 | C35 | sing | 1.55Å | 1.20Å | |
| C26 | C43 | doub | 1.38Å | 1.54Å | Aromatic |
| C35 | C38 | sing | 1.55Å | 1.59Å | |
| C25 | C44 | doub | 1.38Å | 1.52Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.53Å | 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 | |
| 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 | |
| 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 | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | 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 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N27 | H271 | 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) |
| C31 | O29 | C28 | 111.2° | 117.0° |
| O29 | C31 | H312 | 109.5° | 109.5° |
| O29 | C31 | H311 | 109.5° | 109.5° |
| O29 | C31 | H313 | 109.4° | 109.5° |
| O29 | C28 | N27 | 118.4° | 120.0° |
| O29 | C28 | O30 | 121.6° | 120.0° |
| C15 | C14 | C13 | 119.5° | 120.0° |
| C14 | C15 | C16 | 119.6° | 120.0° |
| C14 | C15 | H151 | 120.2° | 119.9° |
| C15 | C14 | H141 | 120.3° | 120.0° |
| C14 | C13 | C11 | 118.5° | 120.0° |
| C14 | C13 | C18 | 121.2° | 120.0° |
| C13 | C14 | H141 | 120.2° | 120.0° |
| N27 | C28 | O30 | 120.0° | 120.0° |
| C28 | N27 | C09 | 119.7° | 120.0° |
| C28 | N27 | H271 | 120.2° | 120.0° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C16 | C15 | H151 | 120.2° | 120.0° |
| C15 | C16 | H161 | 119.6° | 120.0° |
| O10 | C05 | C06 | 109.0° | 109.4° |
| O10 | C05 | C03 | 107.0° | 109.5° |
| O10 | C05 | H051 | 110.9° | 109.5° |
| C05 | O10 | H101 | 109.5° | 114.0° |
| N27 | C09 | C42 | 104.8° | 110.0° |
| N27 | C09 | C08 | 112.5° | 110.0° |
| N27 | C09 | C39 | 111.5° | 110.1° |
| C09 | N27 | H271 | 120.1° | 120.0° |
| C13 | C11 | C06 | 110.4° | 109.5° |
| C11 | C13 | C18 | 120.3° | 120.0° |
| C13 | C11 | H112 | 109.2° | 109.5° |
| C13 | C11 | H111 | 109.3° | 109.5° |
| C11 | C06 | N07 | 110.8° | 109.4° |
| C11 | C06 | C05 | 105.8° | 109.5° |
| C11 | C06 | H061 | 110.3° | 109.4° |
| C06 | C11 | H112 | 109.2° | 109.5° |
| C06 | C11 | H111 | 109.2° | 109.5° |
| C13 | C18 | C17 | 119.1° | 120.0° |
| C13 | C18 | H181 | 120.4° | 120.0° |
| C06 | N07 | C08 | 121.0° | 120.0° |
| N07 | C06 | C05 | 107.8° | 109.5° |
| N07 | C06 | H061 | 111.5° | 109.5° |
| C06 | N07 | H071 | 119.5° | 119.9° |
| N07 | C08 | C09 | 117.6° | 120.0° |
| N07 | C08 | O12 | 120.3° | 120.0° |
| C08 | N07 | H071 | 119.5° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C16 | C17 | H171 | 120.1° | 120.0° |
| C17 | C16 | H161 | 119.7° | 120.0° |
| C06 | C05 | C03 | 112.2° | 109.5° |
| C06 | C05 | H051 | 109.0° | 109.5° |
| C05 | C06 | H061 | 110.5° | 109.5° |
| C05 | C03 | C02 | 112.8° | 109.5° |
| C05 | C03 | H032 | 108.7° | 109.5° |
| C05 | C03 | H031 | 108.6° | 109.5° |
| C03 | C05 | H051 | 108.7° | 109.5° |
| C42 | C09 | C08 | 108.9° | 110.0° |
| C42 | C09 | C39 | 105.7° | 106.6° |
| C09 | C42 | C41 | 104.4° | 104.2° |
| C09 | C42 | H422 | 110.7° | 110.5° |
| C09 | C42 | H421 | 110.7° | 110.4° |
| C08 | C09 | C39 | 112.7° | 110.0° |
| C09 | C08 | O12 | 122.0° | 120.0° |
| C09 | C39 | C40 | 106.0° | 106.6° |
| C09 | C39 | H392 | 110.3° | 110.1° |
| C09 | C39 | H391 | 110.3° | 110.1° |
| C42 | C41 | C40 | 108.1° | 102.8° |
| C42 | C41 | H411 | 109.8° | 110.8° |
| C42 | C41 | H412 | 109.8° | 110.9° |
| C41 | C42 | H422 | 110.7° | 110.5° |
| C41 | C42 | H421 | 110.7° | 110.5° |
| C41 | C40 | C39 | 108.5° | 104.2° |
| C41 | C40 | H401 | 109.7° | 110.5° |
| C41 | C40 | H402 | 109.7° | 110.6° |
| C40 | C41 | H411 | 109.8° | 110.7° |
| C40 | C41 | H412 | 109.8° | 110.8° |
| C03 | C02 | N01 | 109.3° | 109.4° |
| C03 | C02 | C04 | 105.7° | 109.4° |
| C03 | C02 | H021 | 110.0° | 109.5° |
| C02 | C03 | H032 | 108.6° | 109.5° |
| C02 | C03 | H031 | 108.6° | 109.5° |
| C18 | C17 | H171 | 120.1° | 120.0° |
| C17 | C18 | H181 | 120.5° | 120.0° |
| C40 | C39 | H392 | 110.4° | 110.0° |
| C40 | C39 | H391 | 110.3° | 110.0° |
| C39 | C40 | H401 | 109.7° | 110.6° |
| C39 | C40 | H402 | 109.7° | 110.5° |
| N01 | C02 | C04 | 109.8° | 109.5° |
| C02 | N01 | C19 | 123.4° | 119.9° |
| N01 | C02 | H021 | 111.4° | 109.5° |
| C02 | N01 | H011 | 118.3° | 120.1° |
| C02 | C04 | C23 | 112.4° | 109.5° |
| C04 | C02 | H021 | 110.5° | 109.5° |
| C02 | C04 | H042 | 108.8° | 109.5° |
| C02 | C04 | H041 | 108.7° | 109.5° |
| N01 | C19 | O21 | 114.3° | 120.0° |
| N01 | C19 | O20 | 122.6° | 120.0° |
| C19 | N01 | H011 | 118.3° | 120.0° |
| C04 | C23 | C24 | 120.0° | 120.0° |
| C04 | C23 | C26 | 119.8° | 120.0° |
| C23 | C04 | H042 | 108.7° | 109.5° |
| C23 | C04 | H041 | 108.8° | 109.5° |
| O21 | C19 | O20 | 123.2° | 120.0° |
| C19 | O21 | C22 | 120.0° | 117.0° |
| O21 | C22 | C32 | 107.7° | 110.6° |
| O21 | C22 | C35 | 109.0° | 110.5° |
| O21 | C22 | H221 | 110.6° | 110.5° |
| C32 | O33 | C34 | 104.1° | 106.0° |
| O33 | C32 | C22 | 103.7° | 104.8° |
| O33 | C32 | H322 | 110.9° | 110.4° |
| O33 | C32 | H321 | 110.9° | 110.5° |
| O33 | C34 | O36 | 109.0° | 109.1° |
| O33 | C34 | C35 | 107.2° | 104.9° |
| O33 | C34 | H341 | 109.2° | 111.8° |
| C32 | C22 | C35 | 105.0° | 104.1° |
| C32 | C22 | H221 | 115.5° | 110.6° |
| C22 | C32 | H322 | 110.9° | 110.4° |
| C22 | C32 | H321 | 110.9° | 110.3° |
| C24 | C23 | C26 | 120.2° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C23 | C24 | H241 | 120.0° | 120.0° |
| C23 | C26 | C43 | 119.7° | 120.0° |
| C23 | C26 | H261 | 120.2° | 120.0° |
| C24 | C25 | C44 | 119.9° | 120.0° |
| C25 | C24 | H241 | 120.0° | 120.0° |
| C24 | C25 | H251 | 120.1° | 120.0° |
| C22 | C35 | C34 | 106.3° | 104.4° |
| C22 | C35 | C38 | 111.1° | 109.1° |
| C35 | C22 | H221 | 108.8° | 110.5° |
| C22 | C35 | H351 | 108.6° | 113.1° |
| C37 | O36 | C34 | 108.6° | 110.2° |
| O36 | C37 | C38 | 105.3° | 105.5° |
| O36 | C37 | H372 | 110.5° | 110.8° |
| O36 | C37 | H371 | 110.5° | 109.6° |
| O36 | C34 | C35 | 108.2° | 107.1° |
| O36 | C34 | H341 | 108.2° | 111.8° |
| C37 | C38 | C35 | 104.3° | 100.9° |
| C38 | C37 | H372 | 110.5° | 110.3° |
| C38 | C37 | H371 | 110.5° | 110.3° |
| C37 | C38 | H382 | 110.7° | 111.1° |
| C37 | C38 | H381 | 110.7° | 111.1° |
| C34 | C35 | C38 | 106.0° | 102.2° |
| C35 | C34 | H341 | 114.9° | 111.8° |
| C34 | C35 | H351 | 115.8° | 113.4° |
| C26 | C43 | C44 | 120.1° | 120.0° |
| C43 | C26 | H261 | 120.1° | 120.0° |
| C26 | C43 | H431 | 119.9° | 120.0° |
| C38 | C35 | H351 | 109.1° | 113.8° |
| C35 | C38 | H382 | 110.7° | 111.1° |
| C35 | C38 | H381 | 110.7° | 111.1° |
| C25 | C44 | C43 | 120.2° | 120.0° |
| C44 | C25 | H251 | 120.1° | 120.0° |
| C25 | C44 | H441 | 119.9° | 120.0° |
| C44 | C43 | H431 | 120.0° | 120.0° |
| C43 | C44 | H441 | 119.9° | 120.0° |
| H032 | C03 | H031 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.4° | 109.5° |
| H112 | C11 | H111 | 109.4° | 109.5° |
| H312 | C31 | H311 | 109.4° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.5° | 110.3° |
| H372 | C37 | H371 | 109.4° | 110.2° |
| H382 | C38 | H381 | 109.5° | 111.0° |
| H392 | C39 | H391 | 109.5° | 110.0° |
| H401 | C40 | H402 | 109.5° | 110.4° |
| H411 | C41 | H412 | 109.4° | 110.6° |
| H422 | C42 | H421 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O29 | C28 | N27 | 168.5° | 180.0° |
| C31 | O29 | C28 | O30 | 11.9° | 0.0° |
| O29 | C31 | H312 | H311 | 120.0° | 120.0° |
| O29 | C31 | H312 | H313 | 120.0° | 120.0° |
| O29 | C31 | H311 | H313 | 120.0° | 120.0° |
| O29 | C28 | N27 | O30 | 179.6° | 180.0° |
| O29 | C28 | N27 | C09 | 164.9° | 174.6° |
| C28 | O29 | C31 | H312 | 180.0° | 60.0° |
| C28 | O29 | C31 | H311 | 60.0° | 60.0° |
| C28 | O29 | C31 | H313 | 60.0° | 180.0° |
| O29 | C28 | N27 | H271 | 15.1° | 5.3° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.7° |
| C15 | C14 | C13 | C11 | 179.7° | 179.7° |
| C15 | C14 | C13 | C18 | 0.0° | 0.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.4° |
| C14 | C15 | C16 | H161 | 179.5° | 179.7° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C14 | C13 | C11 | C18 | 179.7° | 179.7° |
| C14 | C13 | C11 | C06 | 129.3° | 89.7° |
| C14 | C13 | C18 | C17 | 0.2° | 0.3° |
| C13 | C14 | C15 | H151 | 179.6° | 179.7° |
| C14 | C13 | C11 | H112 | 110.5° | 30.3° |
| C14 | C13 | C11 | H111 | 9.1° | 150.3° |
| C14 | C13 | C18 | H181 | 179.8° | 179.7° |
| C28 | N27 | C09 | H271 | 180.0° | 180.0° |
| C28 | N27 | C09 | C42 | 168.9° | 174.4° |
| C28 | N27 | C09 | C08 | 72.9° | 64.2° |
| C28 | N27 | C09 | C39 | 55.0° | 57.2° |
| O30 | C28 | N27 | C09 | 15.6° | 5.4° |
| O30 | C28 | N27 | H271 | 164.4° | 174.7° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.3° | 0.7° |
| C15 | C16 | C17 | H171 | 179.7° | 180.0° |
| C16 | C15 | C14 | H141 | 179.6° | 179.9° |
| O10 | C05 | C06 | C11 | 53.8° | 60.0° |
| O10 | C05 | C06 | N07 | 64.7° | 60.0° |
| O10 | C05 | C06 | C03 | 118.3° | 120.0° |
| O10 | C05 | C06 | H051 | 121.1° | 120.0° |
| O10 | C05 | C03 | H051 | 119.8° | 120.0° |
| O10 | C05 | C03 | C02 | 163.6° | 65.0° |
| O10 | C05 | C03 | H032 | 43.1° | 174.9° |
| O10 | C05 | C03 | H031 | 75.9° | 55.0° |
| O10 | C05 | C06 | H061 | 173.2° | 180.0° |
| N27 | C09 | C08 | N07 | 22.9° | 173.5° |
| N27 | C09 | C42 | C08 | 120.6° | 121.4° |
| N27 | C09 | C42 | C39 | 118.0° | 119.4° |
| N27 | C09 | C08 | C39 | 127.2° | 121.5° |
| N27 | C09 | C42 | C41 | 90.4° | 95.7° |
| N27 | C09 | C08 | O12 | 158.1° | 6.5° |
| N27 | C09 | C39 | C40 | 91.5° | 119.3° |
| N27 | C09 | C39 | H392 | 28.0° | 0.0° |
| N27 | C09 | C39 | H391 | 149.0° | 121.4° |
| N27 | C09 | C42 | H422 | 150.4° | 145.6° |
| N27 | C09 | C42 | H421 | 28.8° | 22.9° |
| C13 | C11 | C06 | H112 | 120.2° | 120.0° |
| C13 | C11 | C06 | H111 | 120.2° | 120.0° |
| C13 | C11 | C06 | N07 | 67.1° | 65.0° |
| C13 | C11 | C06 | C05 | 176.4° | 175.0° |
| C11 | C13 | C18 | C17 | 179.9° | 180.0° |
| C13 | C11 | C06 | H061 | 56.9° | 55.0° |
| C13 | C11 | H112 | H111 | 119.6° | 120.0° |
| C11 | C13 | C14 | H141 | 0.3° | 0.2° |
| C11 | C13 | C18 | H181 | 0.1° | 0.0° |
| C06 | C11 | C13 | C18 | 51.0° | 90.0° |
| C11 | C06 | N07 | C05 | 115.3° | 120.0° |
| C11 | C06 | N07 | H061 | 123.2° | 119.9° |
| C11 | C06 | N07 | C08 | 133.6° | 85.0° |
| C11 | C06 | C05 | H061 | 119.4° | 120.0° |
| C11 | C06 | C05 | C03 | 172.2° | 180.0° |
| C11 | C06 | C05 | H051 | 67.3° | 60.0° |
| C06 | C11 | H112 | H111 | 119.5° | 120.0° |
| C11 | C06 | N07 | H071 | 46.4° | 95.1° |
| C13 | C18 | C17 | C16 | 0.1° | 0.6° |
| C13 | C18 | C17 | H181 | 180.0° | 180.0° |
| C13 | C18 | C17 | H171 | 179.9° | 179.9° |
| C18 | C13 | C11 | H112 | 69.2° | 150.0° |
| C18 | C13 | C11 | H111 | 171.2° | 30.0° |
| C18 | C13 | C14 | H141 | 180.0° | 180.0° |
| C06 | N07 | C08 | H071 | 180.0° | 179.9° |
| N07 | C06 | C05 | H061 | 122.1° | 120.1° |
| N07 | C06 | C05 | C03 | 53.6° | 60.0° |
| C06 | N07 | C08 | C09 | 176.6° | 174.9° |
| C06 | N07 | C08 | O12 | 2.5° | 5.1° |
| N07 | C06 | C05 | H051 | 174.1° | 180.0° |
| N07 | C06 | C11 | H112 | 172.8° | 175.0° |
| N07 | C06 | C11 | H111 | 53.1° | 55.0° |
| C08 | N07 | C06 | C05 | 111.1° | 155.0° |
| N07 | C08 | C09 | C42 | 92.9° | 65.1° |
| N07 | C08 | C09 | O12 | 179.1° | 180.0° |
| N07 | C08 | C09 | C39 | 150.0° | 52.1° |
| C08 | N07 | C06 | H061 | 10.4° | 34.9° |
| C16 | C17 | C18 | H171 | 180.0° | 179.3° |
| C17 | C16 | C15 | H151 | 179.5° | 179.9° |
| C16 | C17 | C18 | H181 | 179.9° | 179.4° |
| C06 | C05 | C03 | H051 | 120.7° | 120.1° |
| C06 | C05 | C03 | C02 | 76.9° | 175.0° |
| C06 | C05 | C03 | H032 | 162.6° | 55.0° |
| C06 | C05 | C03 | H031 | 43.6° | 64.9° |
| C05 | C06 | C11 | H112 | 56.2° | 55.0° |
| C05 | C06 | C11 | H111 | 63.4° | 65.0° |
| C05 | C06 | N07 | H071 | 69.0° | 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 | 51.7° | 65.1° |
| C05 | C03 | C02 | C04 | 169.7° | 175.0° |
| C05 | C03 | C02 | H021 | 71.0° | 55.0° |
| C05 | C03 | H032 | H031 | 118.5° | 120.0° |
| C03 | C05 | C06 | H061 | 68.4° | 60.1° |
| C03 | C05 | O10 | H101 | 58.4° | 60.0° |
| C42 | C09 | C08 | C39 | 117.0° | 117.2° |
| C09 | C42 | C41 | H422 | 119.2° | 118.7° |
| C09 | C42 | C41 | H421 | 119.2° | 118.6° |
| C09 | C42 | C41 | C40 | 22.4° | 37.9° |
| C42 | C09 | C08 | O12 | 86.1° | 114.9° |
| C42 | C09 | C39 | C40 | 21.9° | 0.0° |
| C42 | C09 | C39 | H392 | 141.4° | 119.3° |
| C42 | C09 | C39 | H391 | 97.6° | 119.3° |
| C09 | C42 | C41 | H411 | 142.2° | 80.4° |
| C09 | C42 | C41 | H412 | 97.4° | 156.4° |
| C09 | C42 | H422 | H421 | 122.3° | 122.6° |
| C42 | C09 | N27 | H271 | 11.0° | 5.5° |
| C08 | C09 | C42 | C41 | 149.0° | 142.9° |
| C08 | C09 | C39 | C40 | 140.8° | 119.3° |
| C08 | C09 | C39 | H392 | 99.7° | 121.4° |
| C08 | C09 | C39 | H391 | 21.3° | 0.0° |
| C08 | C09 | C42 | H422 | 29.8° | 24.2° |
| C08 | C09 | C42 | H421 | 91.8° | 98.5° |
| C09 | C08 | N07 | H071 | 3.5° | 5.2° |
| C08 | C09 | N27 | H271 | 107.2° | 115.9° |
| C39 | C09 | C42 | C41 | 27.6° | 23.6° |
| C09 | C39 | C40 | C41 | 8.5° | 23.6° |
| C39 | C09 | C08 | O12 | 30.9° | 127.9° |
| C09 | C39 | C40 | H392 | 119.4° | 119.3° |
| C09 | C39 | C40 | H391 | 119.4° | 119.3° |
| C09 | C39 | H392 | H391 | 121.6° | 121.5° |
| C09 | C39 | C40 | H401 | 128.4° | 142.3° |
| C09 | C39 | C40 | H402 | 111.4° | 95.2° |
| C39 | C09 | C42 | H422 | 91.6° | 95.0° |
| C39 | C09 | C42 | H421 | 146.8° | 142.3° |
| C39 | C09 | N27 | H271 | 125.0° | 122.7° |
| C42 | C41 | C40 | H411 | 119.8° | 118.3° |
| C42 | C41 | C40 | H412 | 119.8° | 118.5° |
| C42 | C41 | C40 | C39 | 9.3° | 37.9° |
| C42 | C41 | C40 | H401 | 110.5° | 156.7° |
| C42 | C41 | C40 | H402 | 129.2° | 80.8° |
| C42 | C41 | H411 | H412 | 120.6° | 123.4° |
| C41 | C42 | H422 | H421 | 122.3° | 122.7° |
| C41 | C40 | C39 | H401 | 119.9° | 118.7° |
| C41 | C40 | C39 | H402 | 119.8° | 118.8° |
| C41 | C40 | C39 | H392 | 127.9° | 95.7° |
| C41 | C40 | C39 | H391 | 110.9° | 142.9° |
| C41 | C40 | H401 | H402 | 120.4° | 122.6° |
| C40 | C41 | H411 | H412 | 120.7° | 123.2° |
| C40 | C41 | C42 | H422 | 96.8° | 80.7° |
| C40 | C41 | C42 | H421 | 141.6° | 156.6° |
| C03 | C02 | N01 | C04 | 115.5° | 119.9° |
| C03 | C02 | N01 | H021 | 121.8° | 120.0° |
| C03 | C02 | C04 | H021 | 118.9° | 120.0° |
| C03 | C02 | N01 | C19 | 126.3° | 155.0° |
| C03 | C02 | C04 | C23 | 171.1° | 175.0° |
| C02 | C03 | H032 | H031 | 118.4° | 120.0° |
| C03 | C02 | C04 | H042 | 50.7° | 65.0° |
| C03 | C02 | C04 | H041 | 68.4° | 55.0° |
| C02 | C03 | C05 | H051 | 43.8° | 55.0° |
| C03 | C02 | N01 | H011 | 53.7° | 24.9° |
| O12 | C08 | N07 | H071 | 177.5° | 174.8° |
| C18 | C17 | C16 | H161 | 179.7° | 179.4° |
| C40 | C39 | H392 | H391 | 121.6° | 121.4° |
| C39 | C40 | H401 | H402 | 120.4° | 122.5° |
| C39 | C40 | C41 | H411 | 129.1° | 80.4° |
| C39 | C40 | C41 | H412 | 110.4° | 156.4° |
| N01 | C02 | C04 | H021 | 123.3° | 120.1° |
| C02 | N01 | C19 | H011 | 180.0° | 180.0° |
| N01 | C02 | C04 | C23 | 53.4° | 65.0° |
| C02 | N01 | C19 | O21 | 177.5° | 180.0° |
| C02 | N01 | C19 | O20 | 1.8° | 0.0° |
| N01 | C02 | C03 | H032 | 68.8° | 174.9° |
| N01 | C02 | C03 | H031 | 172.2° | 55.0° |
| N01 | C02 | C04 | H042 | 67.1° | 54.9° |
| N01 | C02 | C04 | H041 | 173.8° | 174.9° |
| C04 | C02 | N01 | C19 | 118.2° | 85.0° |
| C02 | C04 | C23 | H042 | 120.5° | 120.0° |
| C02 | C04 | C23 | H041 | 120.4° | 120.0° |
| C02 | C04 | C23 | C24 | 110.5° | 90.0° |
| C02 | C04 | C23 | C26 | 70.6° | 90.0° |
| C04 | C02 | C03 | H032 | 49.2° | 55.0° |
| C04 | C02 | C03 | H031 | 69.7° | 65.0° |
| C02 | C04 | H042 | H041 | 118.7° | 120.0° |
| C04 | C02 | N01 | H011 | 61.7° | 95.0° |
| N01 | C19 | O21 | O20 | 179.3° | 180.0° |
| N01 | C19 | O21 | C22 | 165.8° | 180.0° |
| C19 | N01 | C02 | H021 | 4.5° | 35.0° |
| C04 | C23 | C24 | C26 | 178.9° | 180.0° |
| C04 | C23 | C24 | C25 | 179.2° | 180.0° |
| C04 | C23 | C26 | C43 | 179.4° | 179.5° |
| C04 | C23 | C24 | H241 | 0.8° | 0.3° |
| C04 | C23 | C26 | H261 | 0.6° | 0.3° |
| C23 | C04 | C02 | H021 | 69.9° | 55.1° |
| C23 | C04 | H042 | H041 | 118.7° | 120.0° |
| C19 | O21 | C22 | C32 | 141.9° | 95.3° |
| C19 | O21 | C22 | C35 | 104.7° | 150.0° |
| C19 | O21 | C22 | H221 | 14.9° | 27.5° |
| O21 | C19 | N01 | H011 | 2.5° | 0.0° |
| O20 | C19 | O21 | C22 | 14.9° | 0.0° |
| O20 | C19 | N01 | H011 | 178.1° | 180.0° |
| O21 | C22 | C32 | O33 | 80.3° | 93.1° |
| O21 | C22 | C32 | C35 | 116.1° | 118.7° |
| O21 | C22 | C32 | H221 | 124.1° | 122.7° |
| O21 | C22 | C35 | H221 | 120.6° | 122.5° |
| O21 | C22 | C35 | C34 | 80.3° | 115.7° |
| O21 | C22 | C35 | C38 | 34.5° | 7.1° |
| O21 | C22 | C32 | H322 | 38.7° | 148.1° |
| O21 | C22 | C32 | H321 | 160.6° | 25.9° |
| O21 | C22 | C35 | H351 | 154.5° | 120.6° |
| O33 | C32 | C22 | H322 | 119.1° | 118.8° |
| O33 | C32 | C22 | H321 | 119.1° | 119.0° |
| O33 | C32 | C22 | C35 | 35.7° | 25.6° |
| C32 | O33 | C34 | O36 | 122.5° | 152.5° |
| C32 | O33 | C34 | C35 | 5.6° | 38.0° |
| O33 | C32 | C22 | H221 | 155.6° | 144.2° |
| O33 | C32 | H322 | H321 | 122.6° | 122.4° |
| C32 | O33 | C34 | H341 | 119.5° | 83.4° |
| C34 | O33 | C32 | C22 | 28.9° | 40.1° |
| O33 | C34 | C35 | C22 | 13.9° | 20.4° |
| O33 | C34 | O36 | C37 | 114.5° | 112.9° |
| O33 | C34 | O36 | C35 | 116.3° | 113.1° |
| O33 | C34 | O36 | H341 | 118.6° | 124.1° |
| O33 | C34 | C35 | H341 | 121.5° | 121.4° |
| O33 | C34 | C35 | C38 | 132.1° | 93.2° |
| C34 | O33 | C32 | H322 | 147.9° | 78.7° |
| C34 | O33 | C32 | H321 | 90.2° | 159.0° |
| O33 | C34 | C35 | H351 | 106.8° | 143.9° |
| C32 | C22 | C35 | H221 | 124.2° | 118.7° |
| C32 | C22 | C35 | C34 | 34.9° | 3.0° |
| C32 | C22 | C35 | C38 | 149.7° | 111.7° |
| C22 | C32 | H322 | H321 | 122.7° | 122.2° |
| C32 | C22 | C35 | H351 | 90.3° | 120.6° |
| C23 | C24 | C25 | H241 | 180.0° | 179.7° |
| C24 | C23 | C26 | C43 | 0.5° | 0.5° |
| C23 | C24 | C25 | C44 | 0.2° | 0.3° |
| C24 | C23 | C26 | H261 | 179.5° | 179.7° |
| C24 | C23 | C04 | H042 | 9.9° | 30.0° |
| C24 | C23 | C04 | H041 | 129.0° | 150.0° |
| C23 | C24 | C25 | H251 | 179.8° | 179.7° |
| C26 | C23 | C24 | C25 | 0.3° | 0.0° |
| C23 | C26 | C43 | H261 | 180.0° | 179.2° |
| C23 | C26 | C43 | C44 | 0.2° | 0.8° |
| C26 | C23 | C24 | H241 | 179.7° | 179.7° |
| C26 | C23 | C04 | H042 | 169.0° | 150.0° |
| C26 | C23 | C04 | H041 | 49.9° | 30.0° |
| C23 | C26 | C43 | H431 | 179.8° | 179.1° |
| C24 | C25 | C44 | H251 | 180.0° | 180.0° |
| C24 | C25 | C44 | C43 | 0.5° | 0.0° |
| C24 | C25 | C44 | H441 | 179.5° | 180.0° |
| C22 | C35 | C34 | O36 | 103.6° | 136.3° |
| C22 | C35 | C38 | C37 | 88.8° | 144.6° |
| C22 | C35 | C34 | C38 | 118.2° | 113.6° |
| C22 | C35 | C34 | H351 | 120.7° | 123.5° |
| C22 | C35 | C38 | H351 | 119.6° | 127.3° |
| C35 | C22 | C32 | H322 | 154.8° | 93.3° |
| C35 | C22 | C32 | H321 | 83.3° | 144.6° |
| C22 | C35 | C34 | H341 | 135.4° | 100.9° |
| C22 | C35 | C38 | H382 | 152.0° | 26.7° |
| C22 | C35 | C38 | H381 | 30.4° | 97.5° |
| O36 | C37 | C38 | H372 | 119.3° | 119.7° |
| O36 | C37 | C38 | H371 | 119.4° | 118.3° |
| C37 | O36 | C34 | C35 | 1.8° | 0.1° |
| O36 | C37 | C38 | C35 | 26.6° | 35.9° |
| C37 | O36 | C34 | H341 | 126.9° | 122.9° |
| O36 | C37 | H372 | H371 | 121.9° | 121.5° |
| O36 | C37 | C38 | H382 | 92.6° | 82.1° |
| O36 | C37 | C38 | H381 | 145.8° | 153.8° |
| C34 | O36 | C37 | C38 | 18.8° | 22.9° |
| O36 | C34 | C35 | H341 | 121.0° | 122.8° |
| O36 | C34 | C35 | C38 | 14.6° | 22.7° |
| O36 | C34 | C35 | H351 | 135.7° | 100.2° |
| C34 | O36 | C37 | H372 | 138.2° | 142.2° |
| C34 | O36 | C37 | H371 | 100.5° | 95.9° |
| C37 | C38 | C35 | C34 | 26.2° | 34.5° |
| C37 | C38 | C35 | H382 | 119.2° | 117.9° |
| C37 | C38 | C35 | H381 | 119.2° | 117.9° |
| C37 | C38 | C35 | H351 | 151.6° | 88.1° |
| C38 | C37 | H372 | H371 | 121.9° | 122.0° |
| C37 | C38 | H382 | H381 | 122.4° | 124.2° |
| C34 | C35 | C38 | H351 | 125.3° | 122.6° |
| C34 | C35 | C22 | H221 | 159.1° | 121.7° |
| C34 | C35 | C38 | H382 | 92.9° | 83.4° |
| C34 | C35 | C38 | H381 | 145.4° | 152.4° |
| C26 | C43 | C44 | C25 | 0.3° | 0.5° |
| C26 | C43 | C44 | H431 | 180.0° | 179.9° |
| C26 | C43 | C44 | H441 | 179.7° | 179.4° |
| C38 | C35 | C22 | H221 | 86.1° | 129.6° |
| C38 | C35 | C34 | H341 | 106.4° | 145.5° |
| C35 | C38 | C37 | H372 | 146.0° | 155.6° |
| C35 | C38 | C37 | H371 | 92.7° | 82.4° |
| C35 | C38 | H382 | H381 | 122.4° | 124.2° |
| C25 | C44 | C43 | H441 | 180.0° | 179.9° |
| C44 | C25 | C24 | H241 | 179.8° | 180.0° |
| C25 | C44 | C43 | H431 | 179.7° | 179.4° |
| C44 | C43 | C26 | H261 | 179.8° | 180.0° |
| C43 | C44 | C25 | H251 | 179.5° | 180.0° |
| H151 | C15 | C14 | H141 | 0.4° | 0.2° |
| H151 | C15 | C16 | H161 | 0.5° | 0.0° |
| H171 | C17 | C16 | H161 | 0.3° | 0.1° |
| H171 | C17 | C18 | H181 | 0.1° | 0.1° |
| H221 | C22 | C32 | H322 | 85.4° | 25.4° |
| H221 | C22 | C32 | H321 | 36.5° | 96.8° |
| H221 | C22 | C35 | H351 | 33.9° | 1.9° |
| H241 | C24 | C25 | H251 | 0.2° | 0.1° |
| H261 | C26 | C43 | H431 | 0.2° | 0.1° |
| H021 | C02 | C03 | H032 | 168.5° | 65.0° |
| H021 | C02 | C03 | H031 | 49.5° | 175.0° |
| H021 | C02 | C04 | H042 | 169.6° | 175.0° |
| H021 | C02 | C04 | H041 | 50.5° | 65.0° |
| H021 | C02 | N01 | H011 | 175.5° | 144.9° |
| H032 | C03 | C05 | H051 | 76.7° | 65.1° |
| H031 | C03 | C05 | H051 | 164.3° | 175.0° |
| H051 | C05 | C06 | H061 | 52.1° | 60.0° |
| H051 | C05 | O10 | H101 | 60.0° | 180.0° |
| H061 | C06 | C11 | H112 | 63.3° | 65.0° |
| H061 | C06 | C11 | H111 | 177.1° | 175.0° |
| H061 | C06 | N07 | H071 | 169.6° | 145.0° |
| H251 | C25 | C44 | H441 | 0.5° | 0.1° |
| H312 | C31 | H311 | H313 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 14.7° | 22.6° |
| H351 | C35 | C38 | H382 | 32.4° | 154.0° |
| H351 | C35 | C38 | H381 | 89.3° | 29.8° |
| H372 | C37 | C38 | H382 | 26.8° | 37.6° |
| H372 | C37 | C38 | H381 | 94.8° | 86.5° |
| H371 | C37 | C38 | H382 | 148.1° | 159.7° |
| H371 | C37 | C38 | H381 | 26.4° | 35.5° |
| H392 | C39 | C40 | H401 | 112.2° | 23.0° |
| H392 | C39 | C40 | H402 | 8.1° | 145.5° |
| H391 | C39 | C40 | H401 | 8.9° | 98.3° |
| H391 | C39 | C40 | H402 | 129.2° | 24.1° |
| H401 | C40 | C41 | H411 | 9.3° | 38.4° |
| H401 | C40 | C41 | H412 | 129.7° | 84.8° |
| H402 | C40 | C41 | H411 | 111.0° | 160.9° |
| H402 | C40 | C41 | H412 | 9.4° | 37.7° |
| H411 | C41 | C42 | H422 | 23.0° | 161.0° |
| H411 | C41 | C42 | H421 | 98.6° | 38.2° |
| H412 | C41 | C42 | H422 | 143.4° | 37.7° |
| H412 | C41 | C42 | H421 | 21.8° | 85.0° |
| H431 | C43 | C44 | H441 | 0.3° | 0.7° |
