OQD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C34 | O32 | sing | 1.45Å | 1.40Å | |
O33 | C30 | doub | 1.22Å | 1.19Å | |
C30 | O32 | sing | 1.35Å | 1.39Å | |
C30 | N29 | sing | 1.35Å | 1.44Å | |
C44 | C42 | sing | 1.53Å | 1.52Å | |
C14 | C15 | doub | 1.38Å | 1.52Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.52Å | Aromatic |
O10 | C05 | sing | 1.43Å | 1.40Å | |
C15 | C16 | sing | 1.38Å | 1.51Å | Aromatic |
N29 | C09 | sing | 1.47Å | 1.44Å | |
N07 | C06 | sing | 1.46Å | 1.45Å | |
N07 | C08 | sing | 1.35Å | 1.45Å | |
C09 | C08 | sing | 1.51Å | 1.52Å | |
C09 | C31 | sing | 1.53Å | 1.52Å | |
C11 | C13 | sing | 1.51Å | 1.52Å | |
C11 | C06 | sing | 1.53Å | 1.54Å | |
C13 | C18 | doub | 1.38Å | 1.51Å | Aromatic |
C42 | C31 | sing | 1.53Å | 1.52Å | |
C16 | C17 | doub | 1.38Å | 1.52Å | Aromatic |
C05 | C06 | sing | 1.53Å | 1.53Å | |
C05 | C03 | sing | 1.53Å | 1.52Å | |
C08 | O12 | doub | 1.21Å | 1.19Å | |
C31 | C43 | sing | 1.53Å | 1.53Å | |
C03 | C02 | sing | 1.53Å | 1.52Å | |
C18 | C17 | sing | 1.38Å | 1.51Å | Aromatic |
C02 | N01 | sing | 1.47Å | 1.44Å | |
C02 | C04 | sing | 1.53Å | 1.55Å | |
N01 | C19 | sing | 1.35Å | 1.44Å | |
C04 | C23 | sing | 1.51Å | 1.51Å | |
C19 | O21 | sing | 1.35Å | 1.39Å | |
C19 | O20 | doub | 1.21Å | 1.20Å | |
O21 | C22 | sing | 1.45Å | 1.46Å | |
C23 | C28 | doub | 1.38Å | 1.52Å | Aromatic |
C23 | C24 | sing | 1.38Å | 1.52Å | Aromatic |
C35 | O36 | sing | 1.44Å | 1.50Å | |
C35 | C22 | sing | 1.54Å | 1.22Å | |
O36 | C37 | sing | 1.44Å | 1.54Å | |
C28 | C27 | sing | 1.38Å | 1.52Å | Aromatic |
C22 | C38 | sing | 1.54Å | 1.63Å | |
O39 | C40 | sing | 1.44Å | 1.30Å | |
O39 | C37 | sing | 1.43Å | 1.62Å | |
C40 | C41 | sing | 1.55Å | 1.45Å | |
C24 | C25 | doub | 1.38Å | 1.52Å | Aromatic |
C37 | C38 | sing | 1.55Å | 1.20Å | |
C38 | C41 | sing | 1.55Å | 1.60Å | |
C27 | C26 | doub | 1.38Å | 1.52Å | 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 | H031 | sing | 1.09Å | 1.10Å | |
C03 | H032 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C04 | H042 | 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 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | 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 | H343 | sing | 1.09Å | 1.10Å | |
C34 | H341 | 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 | 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 | 1.09Å | 1.10Å | |
C43 | H433 | sing | 1.09Å | 1.10Å | |
C43 | H432 | sing | 1.09Å | 1.10Å | |
C44 | H442 | sing | 1.09Å | 1.10Å | |
C44 | H443 | 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) |
C34 | O32 | C30 | 111.8° | 117.0° |
O32 | C34 | H342 | 109.5° | 109.5° |
O32 | C34 | H343 | 109.5° | 109.5° |
O32 | C34 | H341 | 109.5° | 109.5° |
O33 | C30 | O32 | 121.3° | 120.0° |
O33 | C30 | N29 | 122.0° | 120.0° |
O32 | C30 | N29 | 116.6° | 120.0° |
C30 | N29 | C09 | 122.5° | 120.0° |
C30 | N29 | H291 | 118.8° | 120.0° |
C44 | C42 | C31 | 108.1° | 109.5° |
C44 | C42 | H422 | 109.8° | 109.5° |
C44 | C42 | H421 | 109.8° | 109.5° |
C42 | C44 | H442 | 109.5° | 109.4° |
C42 | C44 | H443 | 109.5° | 109.5° |
C42 | C44 | H441 | 109.5° | 109.5° |
C15 | C14 | C13 | 120.4° | 120.0° |
C14 | C15 | C16 | 119.6° | 120.0° |
C14 | C15 | H151 | 120.2° | 120.0° |
C15 | C14 | H141 | 119.8° | 120.0° |
C14 | C13 | C11 | 121.4° | 120.0° |
C14 | C13 | C18 | 119.9° | 120.0° |
C13 | C14 | H141 | 119.8° | 120.0° |
O10 | C05 | C06 | 112.7° | 109.5° |
O10 | C05 | C03 | 107.5° | 109.4° |
O10 | C05 | H051 | 111.3° | 109.5° |
C05 | O10 | H101 | 109.5° | 114.0° |
C15 | C16 | C17 | 119.9° | 120.0° |
C16 | C15 | H151 | 120.2° | 120.0° |
C15 | C16 | H161 | 120.1° | 120.0° |
N29 | C09 | C08 | 107.6° | 109.5° |
N29 | C09 | C31 | 108.9° | 109.4° |
N29 | C09 | H091 | 111.5° | 109.5° |
C09 | N29 | H291 | 118.7° | 120.0° |
C06 | N07 | C08 | 121.7° | 120.0° |
N07 | C06 | C11 | 110.9° | 109.5° |
N07 | C06 | C05 | 112.0° | 109.5° |
N07 | C06 | H061 | 109.9° | 109.5° |
C06 | N07 | H071 | 119.2° | 120.0° |
N07 | C08 | C09 | 118.5° | 120.0° |
N07 | C08 | O12 | 122.6° | 120.0° |
C08 | N07 | H071 | 119.2° | 120.0° |
C08 | C09 | C31 | 108.2° | 109.4° |
C09 | C08 | O12 | 118.9° | 120.0° |
C08 | C09 | H091 | 110.3° | 109.5° |
C09 | C31 | C42 | 108.9° | 109.5° |
C09 | C31 | C43 | 108.4° | 109.4° |
C31 | C09 | H091 | 110.2° | 109.5° |
C09 | C31 | H311 | 108.8° | 109.4° |
C13 | C11 | C06 | 108.9° | 109.4° |
C11 | C13 | C18 | 118.6° | 120.0° |
C13 | C11 | H111 | 109.6° | 109.4° |
C13 | C11 | H112 | 109.6° | 109.5° |
C11 | C06 | C05 | 106.3° | 109.4° |
C11 | C06 | H061 | 108.7° | 109.5° |
C06 | C11 | H111 | 109.6° | 109.5° |
C06 | C11 | H112 | 109.6° | 109.5° |
C13 | C18 | C17 | 119.7° | 120.0° |
C13 | C18 | H181 | 120.1° | 120.0° |
C42 | C31 | C43 | 113.0° | 109.5° |
C42 | C31 | H311 | 108.8° | 109.5° |
C31 | C42 | H422 | 109.8° | 109.5° |
C31 | C42 | H421 | 109.8° | 109.5° |
C16 | C17 | C18 | 120.5° | 120.0° |
C16 | C17 | H171 | 119.8° | 120.1° |
C17 | C16 | H161 | 120.1° | 120.0° |
C06 | C05 | C03 | 106.1° | 109.5° |
C06 | C05 | H051 | 109.4° | 109.5° |
C05 | C06 | H061 | 108.9° | 109.4° |
C05 | C03 | C02 | 115.2° | 109.5° |
C05 | C03 | H031 | 108.0° | 109.5° |
C05 | C03 | H032 | 108.0° | 109.5° |
C03 | C05 | H051 | 109.5° | 109.5° |
C43 | C31 | H311 | 108.8° | 109.5° |
C31 | C43 | H431 | 109.5° | 109.5° |
C31 | C43 | H433 | 109.5° | 109.4° |
C31 | C43 | H432 | 109.4° | 109.5° |
C03 | C02 | N01 | 110.4° | 109.4° |
C03 | C02 | C04 | 102.5° | 109.5° |
C03 | C02 | H021 | 108.9° | 109.5° |
C02 | C03 | H031 | 108.0° | 109.5° |
C02 | C03 | H032 | 108.0° | 109.4° |
C18 | C17 | H171 | 119.8° | 120.0° |
C17 | C18 | H181 | 120.2° | 120.0° |
N01 | C02 | C04 | 116.1° | 109.5° |
C02 | N01 | C19 | 118.4° | 120.0° |
N01 | C02 | H021 | 110.0° | 109.4° |
C02 | N01 | H011 | 120.8° | 120.0° |
C02 | C04 | C23 | 108.7° | 109.5° |
C04 | C02 | H021 | 108.6° | 109.5° |
C02 | C04 | H041 | 109.7° | 109.5° |
C02 | C04 | H042 | 109.7° | 109.5° |
N01 | C19 | O21 | 112.2° | 120.0° |
N01 | C19 | O20 | 124.2° | 120.0° |
C19 | N01 | H011 | 120.8° | 120.1° |
C04 | C23 | C28 | 120.4° | 120.0° |
C04 | C23 | C24 | 119.3° | 120.0° |
C23 | C04 | H041 | 109.7° | 109.5° |
C23 | C04 | H042 | 109.6° | 109.5° |
O21 | C19 | O20 | 123.6° | 120.0° |
C19 | O21 | C22 | 120.7° | 117.0° |
O21 | C22 | C35 | 104.6° | 110.7° |
O21 | C22 | C38 | 108.3° | 110.5° |
O21 | C22 | H221 | 111.5° | 110.4° |
C28 | C23 | C24 | 120.3° | 120.0° |
C23 | C28 | C27 | 119.2° | 120.0° |
C23 | C28 | H281 | 120.4° | 120.0° |
C23 | C24 | C25 | 120.2° | 120.0° |
C23 | C24 | H241 | 119.9° | 120.0° |
O36 | C35 | C22 | 106.0° | 104.8° |
C35 | O36 | C37 | 102.2° | 106.0° |
O36 | C35 | H351 | 110.3° | 110.4° |
O36 | C35 | H352 | 110.3° | 110.3° |
C35 | C22 | C38 | 106.9° | 104.1° |
C35 | C22 | H221 | 116.0° | 110.5° |
C22 | C35 | H351 | 110.3° | 110.4° |
C22 | C35 | H352 | 110.3° | 110.4° |
O36 | C37 | O39 | 108.7° | 109.1° |
O36 | C37 | C38 | 110.3° | 104.9° |
O36 | C37 | H371 | 109.0° | 111.8° |
C28 | C27 | C26 | 120.9° | 120.0° |
C27 | C28 | H281 | 120.4° | 120.0° |
C28 | C27 | H271 | 119.5° | 120.0° |
C22 | C38 | C37 | 105.0° | 104.4° |
C22 | C38 | C41 | 112.1° | 109.1° |
C38 | C22 | H221 | 109.2° | 110.5° |
C22 | C38 | H381 | 108.1° | 113.1° |
C40 | O39 | C37 | 107.2° | 110.3° |
O39 | C40 | C41 | 105.1° | 105.5° |
O39 | C40 | H401 | 110.6° | 110.8° |
O39 | C40 | H402 | 110.6° | 109.6° |
O39 | C37 | C38 | 105.9° | 107.1° |
O39 | C37 | H371 | 108.0° | 111.8° |
C40 | C41 | C38 | 100.6° | 101.0° |
C41 | C40 | H401 | 110.5° | 110.3° |
C41 | C40 | H402 | 110.5° | 110.3° |
C40 | C41 | H411 | 111.6° | 111.1° |
C40 | C41 | H412 | 111.6° | 111.1° |
C24 | C25 | C26 | 120.0° | 120.0° |
C25 | C24 | H241 | 119.9° | 120.0° |
C24 | C25 | H251 | 120.0° | 120.0° |
C37 | C38 | C41 | 108.5° | 102.2° |
C38 | C37 | H371 | 114.6° | 111.8° |
C37 | C38 | H381 | 114.9° | 113.4° |
C41 | C38 | H381 | 108.4° | 113.7° |
C38 | C41 | H411 | 111.6° | 111.1° |
C38 | C41 | H412 | 111.6° | 111.2° |
C27 | C26 | C25 | 119.4° | 120.0° |
C27 | C26 | H261 | 120.3° | 120.0° |
C26 | C27 | H271 | 119.5° | 120.0° |
C25 | C26 | H261 | 120.3° | 120.1° |
C26 | C25 | H251 | 120.0° | 120.0° |
H031 | C03 | H032 | 109.5° | 109.5° |
H041 | C04 | H042 | 109.4° | 109.5° |
H111 | C11 | H112 | 109.5° | 109.5° |
H342 | C34 | H343 | 109.5° | 109.4° |
H342 | C34 | H341 | 109.5° | 109.5° |
H343 | C34 | H341 | 109.4° | 109.5° |
H351 | C35 | H352 | 109.5° | 110.4° |
H401 | C40 | H402 | 109.5° | 110.2° |
H411 | C41 | H412 | 109.5° | 111.1° |
H422 | C42 | H421 | 109.5° | 109.4° |
H431 | C43 | H433 | 109.4° | 109.4° |
H431 | C43 | H432 | 109.5° | 109.5° |
H433 | C43 | H432 | 109.5° | 109.4° |
H442 | C44 | H443 | 109.4° | 109.4° |
H442 | C44 | H441 | 109.4° | 109.5° |
H443 | C44 | H441 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C34 | O32 | C30 | O33 | 23.8° | 0.0° |
C34 | O32 | C30 | N29 | 153.8° | 180.0° |
O32 | C34 | H342 | H343 | 120.0° | 120.0° |
O32 | C34 | H342 | H341 | 120.0° | 120.1° |
O32 | C34 | H343 | H341 | 120.0° | 120.0° |
O33 | C30 | O32 | N29 | 177.6° | 180.0° |
O33 | C30 | N29 | C09 | 8.6° | 0.0° |
O33 | C30 | N29 | H291 | 171.4° | 180.0° |
O32 | C30 | N29 | C09 | 173.8° | 180.0° |
C30 | O32 | C34 | H342 | 180.0° | 180.0° |
C30 | O32 | C34 | H343 | 60.0° | 60.0° |
C30 | O32 | C34 | H341 | 60.0° | 60.0° |
O32 | C30 | N29 | H291 | 6.2° | 0.0° |
C30 | N29 | C09 | H291 | 180.0° | 180.0° |
C30 | N29 | C09 | C08 | 112.9° | 155.0° |
C30 | N29 | C09 | C31 | 130.0° | 85.0° |
C30 | N29 | C09 | H091 | 8.2° | 35.0° |
C44 | C42 | C31 | C09 | 56.4° | 175.0° |
C44 | C42 | C31 | H422 | 119.8° | 120.0° |
C44 | C42 | C31 | H421 | 119.8° | 120.0° |
C44 | C42 | C31 | C43 | 64.1° | 65.0° |
C44 | C42 | C31 | H311 | 174.9° | 55.0° |
C44 | C42 | H422 | H421 | 120.6° | 120.0° |
C42 | C44 | H442 | H443 | 120.0° | 120.0° |
C42 | C44 | H442 | H441 | 120.0° | 120.0° |
C42 | C44 | H443 | H441 | 120.0° | 120.0° |
C15 | C14 | C13 | H141 | 180.0° | 180.0° |
C14 | C15 | C16 | H151 | 180.0° | 179.7° |
C15 | C14 | C13 | C11 | 177.9° | 179.7° |
C15 | C14 | C13 | C18 | 0.0° | 0.1° |
C14 | C15 | C16 | C17 | 0.4° | 0.3° |
C14 | C15 | C16 | H161 | 179.6° | 179.7° |
C13 | C14 | C15 | C16 | 0.4° | 0.0° |
C14 | C13 | C11 | C18 | 177.9° | 179.8° |
C14 | C13 | C11 | C06 | 93.6° | 89.7° |
C14 | C13 | C18 | C17 | 0.3° | 0.2° |
C13 | C14 | C15 | H151 | 179.6° | 179.7° |
C14 | C13 | C11 | H111 | 146.5° | 30.2° |
C14 | C13 | C11 | H112 | 26.3° | 150.2° |
C14 | C13 | C18 | H181 | 179.7° | 179.7° |
O10 | C05 | C06 | N07 | 52.3° | 60.0° |
O10 | C05 | C06 | C11 | 68.9° | 60.0° |
O10 | C05 | C06 | C03 | 117.5° | 119.9° |
O10 | C05 | C06 | H051 | 124.4° | 120.0° |
O10 | C05 | C03 | H051 | 121.1° | 120.0° |
O10 | C05 | C03 | C02 | 155.8° | 65.0° |
O10 | C05 | C03 | H031 | 34.9° | 175.0° |
O10 | C05 | C03 | H032 | 83.4° | 55.0° |
O10 | C05 | C06 | H061 | 174.1° | 180.0° |
C15 | C16 | C17 | H161 | 180.0° | 180.0° |
C15 | C16 | C17 | C18 | 0.1° | 0.5° |
C15 | C16 | C17 | H171 | 179.9° | 180.0° |
C16 | C15 | C14 | H141 | 179.7° | 180.0° |
N29 | C09 | C08 | N07 | 111.5° | 180.0° |
N29 | C09 | C08 | C31 | 117.5° | 120.0° |
N29 | C09 | C08 | H091 | 121.8° | 120.0° |
N29 | C09 | C31 | H091 | 122.6° | 120.0° |
N29 | C09 | C31 | C42 | 52.4° | 60.0° |
N29 | C09 | C08 | O12 | 70.9° | 0.0° |
N29 | C09 | C31 | C43 | 175.8° | 60.1° |
N29 | C09 | C31 | H311 | 66.1° | 180.0° |
C06 | N07 | C08 | H071 | 180.0° | 180.0° |
C06 | N07 | C08 | C09 | 179.7° | 180.0° |
N07 | C06 | C11 | C13 | 52.3° | 65.0° |
N07 | C06 | C11 | C05 | 122.0° | 120.0° |
N07 | C06 | C11 | H061 | 120.9° | 120.1° |
N07 | C06 | C05 | H061 | 121.8° | 120.0° |
N07 | C06 | C05 | C03 | 65.2° | 60.0° |
C06 | N07 | C08 | O12 | 2.8° | 0.0° |
N07 | C06 | C05 | H051 | 176.7° | 180.0° |
N07 | C06 | C11 | H111 | 172.1° | 175.1° |
N07 | C06 | C11 | H112 | 67.6° | 55.0° |
N07 | C08 | C09 | O12 | 177.6° | 180.0° |
N07 | C08 | C09 | C31 | 131.0° | 60.0° |
C08 | N07 | C06 | C11 | 110.9° | 85.0° |
C08 | N07 | C06 | C05 | 130.6° | 155.0° |
C08 | N07 | C06 | H061 | 9.3° | 35.0° |
N07 | C08 | C09 | H091 | 10.4° | 60.0° |
C08 | C09 | C31 | H091 | 120.7° | 120.0° |
C08 | C09 | C31 | C42 | 169.1° | 60.0° |
C08 | C09 | C31 | C43 | 67.5° | 180.0° |
C08 | C09 | C31 | H311 | 50.6° | 60.0° |
C09 | C08 | N07 | H071 | 0.3° | 0.0° |
C08 | C09 | N29 | H291 | 67.1° | 25.0° |
C09 | C31 | C42 | C43 | 120.5° | 120.0° |
C09 | C31 | C42 | H311 | 118.5° | 120.0° |
C31 | C09 | C08 | O12 | 46.6° | 120.0° |
C09 | C31 | C43 | H311 | 118.2° | 119.9° |
C09 | C31 | C42 | H422 | 176.2° | 65.0° |
C09 | C31 | C42 | H421 | 63.4° | 55.0° |
C09 | C31 | C43 | H431 | 180.0° | 60.1° |
C09 | C31 | C43 | H433 | 60.0° | 180.0° |
C09 | C31 | C43 | H432 | 60.0° | 60.0° |
C31 | C09 | N29 | H291 | 50.0° | 95.0° |
C13 | C11 | C06 | H111 | 119.9° | 119.9° |
C13 | C11 | C06 | H112 | 119.9° | 120.0° |
C13 | C11 | C06 | C05 | 174.2° | 175.0° |
C11 | C13 | C18 | C17 | 177.7° | 180.0° |
C13 | C11 | C06 | H061 | 68.7° | 55.0° |
C13 | C11 | H111 | H112 | 120.3° | 120.0° |
C11 | C13 | C14 | H141 | 2.1° | 0.3° |
C11 | C13 | C18 | H181 | 2.3° | 0.1° |
C06 | C11 | C13 | C18 | 84.3° | 90.1° |
C11 | C06 | C05 | H061 | 117.0° | 120.0° |
C11 | C06 | C05 | C03 | 173.6° | 180.0° |
C11 | C06 | C05 | H051 | 55.5° | 60.0° |
C06 | C11 | H111 | H112 | 120.3° | 120.1° |
C11 | C06 | N07 | H071 | 69.1° | 95.0° |
C13 | C18 | C17 | C16 | 0.2° | 0.5° |
C13 | C18 | C17 | H181 | 180.0° | 179.9° |
C13 | C18 | C17 | H171 | 179.8° | 180.0° |
C18 | C13 | C11 | H111 | 35.6° | 150.0° |
C18 | C13 | C11 | H112 | 155.8° | 30.0° |
C18 | C13 | C14 | H141 | 180.0° | 179.9° |
C42 | C31 | C43 | H311 | 121.0° | 120.0° |
C42 | C31 | C09 | H091 | 70.2° | 180.0° |
C31 | C42 | H422 | H421 | 120.7° | 120.0° |
C42 | C31 | C43 | H431 | 59.2° | 60.0° |
C42 | C31 | C43 | H433 | 179.1° | 60.0° |
C42 | C31 | C43 | H432 | 60.8° | 179.9° |
C31 | C42 | C44 | H442 | 180.0° | 60.0° |
C31 | C42 | C44 | H443 | 60.0° | 180.0° |
C31 | C42 | C44 | H441 | 60.0° | 60.0° |
C16 | C17 | C18 | H171 | 180.0° | 179.5° |
C17 | C16 | C15 | H151 | 179.6° | 180.0° |
C16 | C17 | C18 | H181 | 179.8° | 179.4° |
C06 | C05 | C03 | H051 | 118.0° | 120.0° |
C06 | C05 | C03 | C02 | 83.3° | 175.0° |
C06 | C05 | C03 | H031 | 155.8° | 55.0° |
C06 | C05 | C03 | H032 | 37.5° | 65.0° |
C05 | C06 | C11 | H111 | 65.9° | 55.1° |
C05 | C06 | C11 | H112 | 54.3° | 65.0° |
C05 | C06 | N07 | H071 | 49.4° | 25.0° |
C06 | C05 | O10 | H101 | 180.0° | 60.0° |
C05 | C03 | C02 | H031 | 120.8° | 120.0° |
C05 | C03 | C02 | H032 | 120.8° | 120.0° |
C05 | C03 | C02 | N01 | 42.9° | 65.0° |
C05 | C03 | C02 | C04 | 167.2° | 175.0° |
C05 | C03 | C02 | H021 | 78.0° | 54.9° |
C05 | C03 | H031 | H032 | 117.4° | 120.0° |
C03 | C05 | C06 | H061 | 56.7° | 60.0° |
C03 | C05 | O10 | H101 | 63.4° | 60.0° |
O12 | C08 | C09 | H091 | 167.2° | 120.0° |
O12 | C08 | N07 | H071 | 177.2° | 180.0° |
C43 | C31 | C09 | H091 | 53.2° | 60.0° |
C43 | C31 | C42 | H422 | 55.6° | 55.0° |
C43 | C31 | C42 | H421 | 176.1° | 175.0° |
C31 | C43 | H431 | H433 | 120.0° | 120.0° |
C31 | C43 | H431 | H432 | 120.0° | 120.1° |
C31 | C43 | H433 | H432 | 120.0° | 120.0° |
C03 | C02 | N01 | C04 | 116.0° | 120.0° |
C03 | C02 | N01 | H021 | 120.2° | 120.0° |
C03 | C02 | C04 | H021 | 115.1° | 120.0° |
C03 | C02 | N01 | C19 | 120.5° | 155.0° |
C03 | C02 | C04 | C23 | 176.7° | 175.0° |
C02 | C03 | H031 | H032 | 117.4° | 120.0° |
C03 | C02 | C04 | H041 | 56.8° | 65.0° |
C03 | C02 | C04 | H042 | 63.4° | 55.0° |
C02 | C03 | C05 | H051 | 34.7° | 55.0° |
C03 | C02 | N01 | H011 | 59.5° | 25.0° |
C18 | C17 | C16 | H161 | 179.9° | 179.4° |
N01 | C02 | C04 | H021 | 124.5° | 120.0° |
C02 | N01 | C19 | H011 | 180.0° | 180.0° |
N01 | C02 | C04 | C23 | 56.2° | 65.0° |
C02 | N01 | C19 | O21 | 173.8° | 180.0° |
C02 | N01 | C19 | O20 | 7.1° | 0.0° |
N01 | C02 | C03 | H031 | 77.9° | 175.0° |
N01 | C02 | C03 | H032 | 163.7° | 55.0° |
N01 | C02 | C04 | H041 | 63.7° | 55.0° |
N01 | C02 | C04 | H042 | 176.1° | 175.0° |
C04 | C02 | N01 | C19 | 123.5° | 85.0° |
C02 | C04 | C23 | H041 | 119.9° | 120.0° |
C02 | C04 | C23 | H042 | 119.9° | 120.0° |
C02 | C04 | C23 | C28 | 102.4° | 90.0° |
C02 | C04 | C23 | C24 | 76.0° | 90.0° |
C04 | C02 | C03 | H031 | 46.3° | 55.0° |
C04 | C02 | C03 | H032 | 72.0° | 65.0° |
C02 | C04 | H041 | H042 | 120.3° | 120.0° |
C04 | C02 | N01 | H011 | 56.5° | 95.0° |
N01 | C19 | O21 | O20 | 179.1° | 180.0° |
N01 | C19 | O21 | C22 | 166.5° | 180.0° |
C19 | N01 | C02 | H021 | 0.3° | 35.0° |
C04 | C23 | C28 | C24 | 178.4° | 180.0° |
C04 | C23 | C28 | C27 | 177.4° | 179.4° |
C04 | C23 | C24 | C25 | 177.0° | 180.0° |
C04 | C23 | C24 | H241 | 3.0° | 0.3° |
C04 | C23 | C28 | H281 | 2.6° | 0.4° |
C23 | C04 | C02 | H021 | 68.2° | 55.0° |
C23 | C04 | H041 | H042 | 120.3° | 120.0° |
C19 | O21 | C22 | C35 | 131.0° | 95.2° |
C19 | O21 | C22 | C38 | 115.3° | 150.0° |
C19 | O21 | C22 | H221 | 4.8° | 27.4° |
O21 | C19 | N01 | H011 | 6.2° | 0.0° |
O20 | C19 | O21 | C22 | 14.4° | 0.0° |
O20 | C19 | N01 | H011 | 172.9° | 180.0° |
O21 | C22 | C35 | O36 | 83.8° | 93.1° |
O21 | C22 | C35 | C38 | 114.6° | 118.7° |
O21 | C22 | C35 | H221 | 123.3° | 122.6° |
O21 | C22 | C38 | H221 | 121.6° | 122.5° |
O21 | C22 | C38 | C37 | 83.9° | 115.8° |
O21 | C22 | C38 | C41 | 33.7° | 7.1° |
O21 | C22 | C35 | H351 | 35.7° | 148.0° |
O21 | C22 | C35 | H352 | 156.8° | 25.6° |
O21 | C22 | C38 | H381 | 153.0° | 120.5° |
C23 | C28 | C27 | H281 | 180.0° | 179.1° |
C28 | C23 | C24 | C25 | 1.4° | 0.0° |
C23 | C28 | C27 | C26 | 0.6° | 0.8° |
C28 | C23 | C24 | H241 | 178.6° | 179.7° |
C28 | C23 | C04 | H041 | 17.5° | 30.0° |
C28 | C23 | C04 | H042 | 137.7° | 150.0° |
C23 | C28 | C27 | H271 | 179.4° | 179.1° |
C24 | C23 | C28 | C27 | 1.0° | 0.5° |
C23 | C24 | C25 | H241 | 180.0° | 179.7° |
C23 | C24 | C25 | C26 | 1.4° | 0.3° |
C24 | C23 | C28 | H281 | 179.0° | 179.6° |
C24 | C23 | C04 | H041 | 164.1° | 150.0° |
C24 | C23 | C04 | H042 | 43.9° | 30.0° |
C23 | C24 | C25 | H251 | 178.6° | 179.7° |
O36 | C35 | C22 | H351 | 119.5° | 118.8° |
O36 | C35 | C22 | H352 | 119.5° | 118.7° |
O36 | C35 | C22 | C38 | 30.9° | 25.6° |
C35 | O36 | C37 | O39 | 121.8° | 152.5° |
C35 | O36 | C37 | C38 | 6.0° | 38.0° |
O36 | C35 | C22 | H221 | 152.9° | 144.3° |
O36 | C35 | H351 | H352 | 121.6° | 122.2° |
C35 | O36 | C37 | H371 | 120.7° | 83.4° |
C22 | C35 | O36 | C37 | 25.0° | 40.1° |
C35 | C22 | C38 | H221 | 126.3° | 118.6° |
C35 | C22 | C38 | C37 | 28.2° | 3.1° |
C35 | C22 | C38 | C41 | 145.8° | 111.7° |
C22 | C35 | H351 | H352 | 121.6° | 122.4° |
C35 | C22 | C38 | H381 | 94.8° | 120.6° |
O36 | C37 | C38 | C22 | 10.3° | 20.4° |
O36 | C37 | O39 | C40 | 108.7° | 112.9° |
O36 | C37 | O39 | C38 | 118.6° | 113.1° |
O36 | C37 | O39 | H371 | 118.1° | 124.1° |
O36 | C37 | C38 | H371 | 123.5° | 121.4° |
O36 | C37 | C38 | C41 | 130.3° | 93.2° |
C37 | O36 | C35 | H351 | 144.4° | 78.8° |
C37 | O36 | C35 | H352 | 94.5° | 158.9° |
O36 | C37 | C38 | H381 | 108.3° | 143.9° |
C28 | C27 | C26 | H271 | 180.0° | 179.9° |
C28 | C27 | C26 | C25 | 0.5° | 0.6° |
C28 | C27 | C26 | H261 | 179.5° | 179.5° |
C22 | C38 | C37 | O39 | 107.2° | 136.3° |
C22 | C38 | C41 | C40 | 85.5° | 144.6° |
C22 | C38 | C37 | C41 | 120.0° | 113.6° |
C22 | C38 | C37 | H381 | 118.6° | 123.5° |
C22 | C38 | C41 | H381 | 119.2° | 127.3° |
C38 | C22 | C35 | H351 | 150.3° | 93.2° |
C38 | C22 | C35 | H352 | 88.6° | 144.4° |
C22 | C38 | C37 | H371 | 133.8° | 100.9° |
C22 | C38 | C41 | H411 | 156.0° | 26.7° |
C22 | C38 | C41 | H412 | 33.1° | 97.5° |
O39 | C40 | C41 | H401 | 119.3° | 119.7° |
O39 | C40 | C41 | H402 | 119.3° | 118.2° |
C40 | O39 | C37 | C38 | 9.9° | 0.1° |
O39 | C40 | C41 | C38 | 35.1° | 35.8° |
C40 | O39 | C37 | H371 | 133.1° | 122.9° |
O39 | C40 | H401 | H402 | 122.1° | 121.5° |
O39 | C40 | C41 | H411 | 83.4° | 82.1° |
O39 | C40 | C41 | H412 | 153.7° | 153.8° |
C37 | O39 | C40 | C41 | 29.3° | 22.8° |
O39 | C37 | C38 | H371 | 119.0° | 122.7° |
O39 | C37 | C38 | C41 | 12.8° | 22.7° |
O39 | C37 | C38 | H381 | 134.2° | 100.1° |
C37 | O39 | C40 | H401 | 148.6° | 142.2° |
C37 | O39 | C40 | H402 | 90.0° | 95.9° |
C40 | C41 | C38 | C37 | 30.0° | 34.5° |
C40 | C41 | C38 | H411 | 118.5° | 117.9° |
C40 | C41 | C38 | H412 | 118.5° | 117.9° |
C40 | C41 | C38 | H381 | 155.4° | 88.1° |
C41 | C40 | H401 | H402 | 122.0° | 122.0° |
C40 | C41 | H411 | H412 | 124.1° | 124.1° |
C24 | C25 | C26 | C27 | 0.9° | 0.0° |
C24 | C25 | C26 | H251 | 180.0° | 180.0° |
C24 | C25 | C26 | H261 | 179.1° | 180.0° |
C37 | C38 | C41 | H381 | 125.3° | 122.6° |
C37 | C38 | C22 | H221 | 154.5° | 121.7° |
C37 | C38 | C41 | H411 | 88.5° | 83.4° |
C37 | C38 | C41 | H412 | 148.6° | 152.4° |
C41 | C38 | C22 | H221 | 87.9° | 129.7° |
C41 | C38 | C37 | H371 | 106.2° | 145.5° |
C38 | C41 | C40 | H401 | 154.4° | 155.6° |
C38 | C41 | C40 | H402 | 84.2° | 82.4° |
C38 | C41 | H411 | H412 | 124.1° | 124.3° |
C27 | C26 | C25 | H261 | 180.0° | 180.0° |
C26 | C27 | C28 | H281 | 179.4° | 179.9° |
C27 | C26 | C25 | H251 | 179.1° | 180.0° |
C26 | C25 | C24 | H241 | 178.6° | 180.0° |
C25 | C26 | C27 | H271 | 179.5° | 179.4° |
H151 | C15 | C14 | H141 | 0.3° | 0.3° |
H151 | C15 | C16 | H161 | 0.4° | 0.0° |
H171 | C17 | C16 | H161 | 0.2° | 0.1° |
H171 | C17 | C18 | H181 | 0.2° | 0.1° |
H221 | C22 | C35 | H351 | 87.6° | 25.4° |
H221 | C22 | C35 | H352 | 33.5° | 97.0° |
H221 | C22 | C38 | H381 | 31.4° | 2.0° |
H241 | C24 | C25 | H251 | 1.4° | 0.0° |
H261 | C26 | C25 | H251 | 0.9° | 0.0° |
H261 | C26 | C27 | H271 | 0.5° | 0.6° |
H281 | C28 | C27 | H271 | 0.6° | 0.0° |
H021 | C02 | C03 | H031 | 161.2° | 65.1° |
H021 | C02 | C03 | H032 | 42.8° | 174.9° |
H021 | C02 | C04 | H041 | 171.8° | 175.0° |
H021 | C02 | C04 | H042 | 51.6° | 65.0° |
H021 | C02 | N01 | H011 | 179.8° | 145.0° |
H031 | C03 | C05 | H051 | 86.1° | 65.0° |
H032 | C03 | C05 | H051 | 155.6° | 175.0° |
H051 | C05 | C06 | H061 | 61.5° | 60.0° |
H051 | C05 | O10 | H101 | 56.6° | 180.0° |
H061 | C06 | C11 | H111 | 51.2° | 64.9° |
H061 | C06 | C11 | H112 | 171.4° | 175.0° |
H061 | C06 | N07 | H071 | 170.7° | 145.0° |
H091 | C09 | C31 | H311 | 171.3° | 60.0° |
H091 | C09 | N29 | H291 | 171.8° | 145.0° |
H311 | C31 | C42 | H422 | 65.3° | 175.1° |
H311 | C31 | C42 | H421 | 55.1° | 65.0° |
H311 | C31 | C43 | H431 | 61.8° | 180.0° |
H311 | C31 | C43 | H433 | 58.2° | 60.0° |
H311 | C31 | C43 | H432 | 178.2° | 59.9° |
H342 | C34 | H343 | H341 | 120.0° | 120.0° |
H371 | C37 | C38 | H381 | 15.3° | 22.6° |
H381 | C38 | C41 | H411 | 36.8° | 154.0° |
H381 | C38 | C41 | H412 | 86.1° | 29.8° |
H401 | C40 | C41 | H411 | 35.9° | 37.7° |
H401 | C40 | C41 | H412 | 87.0° | 86.5° |
H402 | C40 | C41 | H411 | 157.3° | 159.7° |
H402 | C40 | C41 | H412 | 34.4° | 35.5° |
H422 | C42 | C44 | H442 | 60.2° | 60.0° |
H422 | C42 | C44 | H443 | 59.8° | 59.9° |
H422 | C42 | C44 | H441 | 179.8° | 179.9° |
H421 | C42 | C44 | H442 | 60.2° | 180.0° |
H421 | C42 | C44 | H443 | 179.8° | 60.0° |
H421 | C42 | C44 | H441 | 59.8° | 60.0° |
H431 | C43 | H433 | H432 | 120.0° | 120.0° |
H442 | C44 | H443 | H441 | 119.9° | 120.0° |