PRD_900010
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O42 | C42 | sing | 1.43Å | 1.43Å | |
O43 | C43 | sing | 1.43Å | 1.45Å | |
C42 | C43 | sing | 1.53Å | 1.57Å | |
C42 | C41 | sing | 1.53Å | 1.57Å | |
C43 | C44 | sing | 1.53Å | 1.55Å | |
C41 | O41 | sing | 1.43Å | 1.44Å | |
C41 | O45 | sing | 1.43Å | 1.39Å | |
O32 | C32 | sing | 1.43Å | 1.42Å | |
C44 | O44 | sing | 1.43Å | 1.46Å | |
C44 | C45 | sing | 1.53Å | 1.56Å | |
C31 | C32 | sing | 1.53Å | 1.54Å | |
C31 | O44 | sing | 1.43Å | 1.43Å | |
C31 | O35 | sing | 1.43Å | 1.40Å | |
O45 | C45 | sing | 1.43Å | 1.41Å | |
C32 | C33 | sing | 1.53Å | 1.53Å | |
C45 | C46 | sing | 1.53Å | 1.51Å | |
O35 | C35 | sing | 1.43Å | 1.42Å | |
C33 | O33 | sing | 1.43Å | 1.42Å | |
C33 | C34 | sing | 1.53Å | 1.53Å | |
O46 | C46 | sing | 1.43Å | 1.44Å | |
C35 | C34 | sing | 1.53Å | 1.52Å | |
C35 | C36 | sing | 1.53Å | 1.54Å | |
O36 | C36 | sing | 1.43Å | 1.40Å | |
C34 | O34 | sing | 1.43Å | 1.47Å | |
O34 | C21 | sing | 1.43Å | 1.42Å | |
O22 | C22 | sing | 1.43Å | 1.43Å | |
C21 | O25 | sing | 1.43Å | 1.41Å | |
C21 | C22 | sing | 1.53Å | 1.51Å | |
O25 | C25 | sing | 1.43Å | 1.41Å | |
C22 | C23 | sing | 1.53Å | 1.54Å | |
C25 | C26 | sing | 1.53Å | 1.51Å | |
C25 | C24 | sing | 1.53Å | 1.52Å | |
C23 | C24 | sing | 1.53Å | 1.54Å | |
C23 | O23 | sing | 1.43Å | 1.42Å | |
C26 | O26 | sing | 1.43Å | 1.40Å | |
C24 | O24 | sing | 1.43Å | 1.43Å | |
O24 | C11 | sing | 1.43Å | 1.43Å | |
C11 | O15 | sing | 1.43Å | 1.42Å | |
C11 | C12 | sing | 1.53Å | 1.52Å | |
O12 | C12 | sing | 1.43Å | 1.44Å | |
O15 | C15 | sing | 1.43Å | 1.41Å | |
C15 | C16 | sing | 1.53Å | 1.50Å | |
C15 | C14 | sing | 1.53Å | 1.53Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C16 | O16 | sing | 1.43Å | 1.41Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C13 | O13 | sing | 1.43Å | 1.43Å | |
C14 | O14 | sing | 1.43Å | 1.42Å | |
O14 | HO14 | sing | 0.97Å | 0.95Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
O13 | HO13 | sing | 0.97Å | 0.95Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
O12 | HO12 | sing | 0.97Å | 0.95Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C16 | H162 | sing | 1.09Å | 1.10Å | |
O16 | HO16 | sing | 0.97Å | 0.95Å | |
C24 | H241 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
O23 | HO23 | sing | 0.97Å | 0.95Å | |
C22 | H221 | sing | 1.09Å | 1.10Å | |
O22 | HO22 | sing | 0.97Å | 0.95Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
O26 | HO26 | sing | 0.97Å | 0.95Å | |
C34 | H341 | sing | 1.09Å | 1.10Å | |
C33 | H331 | sing | 1.09Å | 1.10Å | |
O33 | HO33 | sing | 0.97Å | 0.95Å | |
C32 | H321 | sing | 1.09Å | 1.10Å | |
O32 | HO32 | sing | 0.97Å | 0.95Å | |
C31 | H311 | sing | 1.09Å | 1.10Å | |
C35 | H351 | sing | 1.09Å | 1.10Å | |
C36 | H362 | sing | 1.09Å | 1.10Å | |
C36 | H361 | sing | 1.09Å | 1.10Å | |
O36 | HO36 | sing | 0.97Å | 0.95Å | |
C44 | H441 | sing | 1.09Å | 1.10Å | |
C43 | H431 | sing | 1.09Å | 1.10Å | |
O43 | HO43 | sing | 0.97Å | 0.95Å | |
C42 | H421 | sing | 1.09Å | 1.10Å | |
O42 | HO42 | sing | 0.97Å | 0.95Å | |
C41 | H411 | sing | 1.09Å | 1.10Å | |
O41 | HO41 | sing | 0.97Å | 0.95Å | |
C45 | H451 | sing | 1.09Å | 1.10Å | |
C46 | H461 | sing | 1.09Å | 1.10Å | |
C46 | H462 | sing | 1.09Å | 1.10Å | |
O46 | HO46 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O42 | C42 | C43 | 118.1° | 109.5° |
O42 | C42 | C41 | 112.3° | 109.6° |
O42 | C42 | H421 | 106.7° | 109.6° |
C42 | O42 | HO42 | 109.5° | 114.0° |
O43 | C43 | C42 | 117.8° | 109.6° |
O43 | C43 | C44 | 112.7° | 109.5° |
O43 | C43 | H431 | 107.3° | 109.5° |
C43 | O43 | HO43 | 109.5° | 114.0° |
C43 | C42 | C41 | 108.4° | 109.1° |
C42 | C43 | C44 | 106.3° | 109.1° |
C42 | C43 | H431 | 105.9° | 109.5° |
C43 | C42 | H421 | 105.2° | 109.5° |
C42 | C41 | O41 | 115.6° | 109.5° |
C42 | C41 | O45 | 110.4° | 109.4° |
C41 | C42 | H421 | 105.2° | 109.5° |
C42 | C41 | H411 | 107.4° | 109.5° |
C43 | C44 | O44 | 116.2° | 109.6° |
C43 | C44 | C45 | 109.1° | 109.1° |
C43 | C44 | H441 | 106.9° | 109.6° |
C44 | C43 | H431 | 106.1° | 109.6° |
O41 | C41 | O45 | 104.4° | 109.4° |
O41 | C41 | H411 | 109.1° | 109.5° |
C41 | O41 | HO41 | 109.5° | 114.0° |
C41 | O45 | C45 | 114.8° | 114.1° |
O45 | C41 | H411 | 109.8° | 109.5° |
O32 | C32 | C31 | 109.3° | 109.6° |
O32 | C32 | C33 | 111.9° | 109.6° |
O32 | C32 | H321 | 108.6° | 109.5° |
C32 | O32 | HO32 | 109.5° | 114.0° |
O44 | C44 | C45 | 109.4° | 109.5° |
C44 | O44 | C31 | 122.1° | 114.0° |
O44 | C44 | H441 | 108.0° | 109.5° |
C44 | C45 | O45 | 116.0° | 109.4° |
C44 | C45 | C46 | 111.5° | 109.5° |
C45 | C44 | H441 | 106.8° | 109.5° |
C44 | C45 | H451 | 107.9° | 109.5° |
C32 | C31 | O44 | 114.4° | 109.5° |
C32 | C31 | O35 | 110.3° | 109.4° |
C31 | C32 | C33 | 112.5° | 109.2° |
C31 | C32 | H321 | 107.1° | 109.5° |
C32 | C31 | H311 | 106.6° | 109.5° |
O44 | C31 | O35 | 109.0° | 109.4° |
O44 | C31 | H311 | 107.9° | 109.4° |
C31 | O35 | C35 | 118.8° | 114.1° |
O35 | C31 | H311 | 108.3° | 109.5° |
O45 | C45 | C46 | 103.0° | 109.5° |
O45 | C45 | H451 | 109.8° | 109.5° |
C32 | C33 | O33 | 112.3° | 109.6° |
C32 | C33 | C34 | 110.4° | 109.1° |
C32 | C33 | H331 | 108.1° | 109.6° |
C33 | C32 | H321 | 107.2° | 109.5° |
C45 | C46 | O46 | 114.5° | 109.5° |
C46 | C45 | H451 | 108.4° | 109.4° |
C45 | C46 | H461 | 108.2° | 109.5° |
C45 | C46 | H462 | 108.2° | 109.5° |
O35 | C35 | C34 | 112.5° | 109.4° |
O35 | C35 | C36 | 111.2° | 109.5° |
O35 | C35 | H351 | 108.3° | 109.4° |
O33 | C33 | C34 | 108.3° | 109.6° |
O33 | C33 | H331 | 109.6° | 109.5° |
C33 | O33 | HO33 | 109.5° | 114.0° |
C33 | C34 | C35 | 107.4° | 109.2° |
C33 | C34 | O34 | 108.6° | 109.5° |
C33 | C34 | H341 | 108.9° | 109.5° |
C34 | C33 | H331 | 108.0° | 109.5° |
O46 | C46 | H461 | 108.2° | 109.4° |
O46 | C46 | H462 | 108.2° | 109.4° |
C46 | O46 | HO46 | 109.5° | 114.0° |
C34 | C35 | C36 | 110.7° | 109.5° |
C35 | C34 | O34 | 113.0° | 109.6° |
C35 | C34 | H341 | 109.1° | 109.6° |
C34 | C35 | H351 | 107.1° | 109.5° |
C35 | C36 | O36 | 112.7° | 109.5° |
C36 | C35 | H351 | 106.8° | 109.4° |
C35 | C36 | H362 | 108.7° | 109.5° |
C35 | C36 | H361 | 108.7° | 109.5° |
O36 | C36 | H362 | 108.7° | 109.5° |
O36 | C36 | H361 | 108.7° | 109.5° |
C36 | O36 | HO36 | 109.5° | 114.0° |
C34 | O34 | C21 | 122.3° | 114.0° |
O34 | C34 | H341 | 109.7° | 109.5° |
O34 | C21 | O25 | 107.5° | 109.5° |
O34 | C21 | C22 | 111.5° | 109.4° |
O34 | C21 | H211 | 108.4° | 109.5° |
O22 | C22 | C21 | 107.8° | 109.6° |
O22 | C22 | C23 | 113.6° | 109.5° |
O22 | C22 | H221 | 109.1° | 109.6° |
C22 | O22 | HO22 | 109.5° | 113.9° |
O25 | C21 | C22 | 113.6° | 109.4° |
C21 | O25 | C25 | 116.5° | 114.1° |
O25 | C21 | H211 | 108.5° | 109.5° |
C21 | C22 | C23 | 110.7° | 109.2° |
C21 | C22 | H221 | 107.9° | 109.5° |
C22 | C21 | H211 | 107.2° | 109.6° |
O25 | C25 | C26 | 108.3° | 109.5° |
O25 | C25 | C24 | 110.5° | 109.4° |
O25 | C25 | H251 | 110.2° | 109.5° |
C22 | C23 | C24 | 111.4° | 109.1° |
C22 | C23 | O23 | 109.1° | 109.5° |
C22 | C23 | H231 | 107.9° | 109.6° |
C23 | C22 | H221 | 107.6° | 109.5° |
C26 | C25 | C24 | 110.4° | 109.5° |
C25 | C26 | O26 | 110.8° | 109.5° |
C26 | C25 | H251 | 108.8° | 109.4° |
C25 | C26 | H261 | 109.1° | 109.5° |
C25 | C26 | H262 | 109.2° | 109.4° |
C25 | C24 | C23 | 108.9° | 109.2° |
C25 | C24 | O24 | 108.1° | 109.6° |
C25 | C24 | H241 | 108.9° | 109.5° |
C24 | C25 | H251 | 108.6° | 109.5° |
C24 | C23 | O23 | 111.2° | 109.5° |
C23 | C24 | O24 | 112.0° | 109.5° |
C23 | C24 | H241 | 108.7° | 109.5° |
C24 | C23 | H231 | 107.8° | 109.6° |
O23 | C23 | H231 | 109.4° | 109.5° |
C23 | O23 | HO23 | 109.5° | 113.9° |
O26 | C26 | H261 | 109.1° | 109.5° |
O26 | C26 | H262 | 109.1° | 109.5° |
C26 | O26 | HO26 | 109.5° | 114.0° |
C24 | O24 | C11 | 125.0° | 114.0° |
O24 | C24 | H241 | 110.2° | 109.5° |
O24 | C11 | O15 | 108.4° | 109.5° |
O24 | C11 | C12 | 107.0° | 109.5° |
O24 | C11 | H111 | 109.8° | 109.4° |
O15 | C11 | C12 | 113.1° | 109.4° |
C11 | O15 | C15 | 115.7° | 114.2° |
O15 | C11 | H111 | 109.9° | 109.5° |
C11 | C12 | O12 | 109.3° | 109.6° |
C11 | C12 | C13 | 111.6° | 109.1° |
C11 | C12 | H121 | 107.7° | 109.5° |
C12 | C11 | H111 | 108.5° | 109.5° |
O12 | C12 | C13 | 111.9° | 109.5° |
O12 | C12 | H121 | 108.7° | 109.5° |
C12 | O12 | HO12 | 109.5° | 114.0° |
O15 | C15 | C16 | 108.8° | 109.5° |
O15 | C15 | C14 | 110.9° | 109.4° |
O15 | C15 | H151 | 109.3° | 109.4° |
C16 | C15 | C14 | 112.2° | 109.5° |
C15 | C16 | O16 | 109.6° | 109.5° |
C16 | C15 | H151 | 108.0° | 109.5° |
C15 | C16 | H161 | 109.5° | 109.5° |
C15 | C16 | H162 | 109.5° | 109.5° |
C15 | C14 | C13 | 107.6° | 109.2° |
C15 | C14 | O14 | 112.9° | 109.5° |
C15 | C14 | H141 | 108.1° | 109.5° |
C14 | C15 | H151 | 107.6° | 109.5° |
C12 | C13 | C14 | 110.4° | 109.1° |
C12 | C13 | O13 | 112.7° | 109.5° |
C12 | C13 | H131 | 107.8° | 109.6° |
C13 | C12 | H121 | 107.6° | 109.5° |
O16 | C16 | H161 | 109.4° | 109.5° |
O16 | C16 | H162 | 109.4° | 109.5° |
C16 | O16 | HO16 | 109.5° | 114.0° |
C14 | C13 | O13 | 108.9° | 109.6° |
C13 | C14 | O14 | 110.5° | 109.5° |
C13 | C14 | H141 | 108.1° | 109.5° |
C14 | C13 | H131 | 107.7° | 109.5° |
O13 | C13 | H131 | 109.1° | 109.5° |
C13 | O13 | HO13 | 109.5° | 114.1° |
C14 | O14 | HO14 | 109.5° | 114.0° |
O14 | C14 | H141 | 109.5° | 109.5° |
H161 | C16 | H162 | 109.5° | 109.4° |
H261 | C26 | H262 | 109.5° | 109.5° |
H362 | C36 | H361 | 109.5° | 109.4° |
H461 | C46 | H462 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O42 | C42 | C43 | O43 | 42.7° | 63.2° |
O42 | C42 | C43 | C41 | 129.1° | 119.9° |
O42 | C42 | C43 | H421 | 118.8° | 120.2° |
O42 | C42 | C41 | H421 | 115.7° | 120.2° |
O42 | C42 | C43 | C44 | 170.3° | 176.9° |
O42 | C42 | C41 | O41 | 75.8° | 57.5° |
O42 | C42 | C41 | O45 | 166.0° | 177.5° |
O42 | C42 | C43 | H431 | 77.2° | 57.0° |
O42 | C42 | C41 | H411 | 46.2° | 62.4° |
O43 | C43 | C42 | C44 | 127.5° | 119.9° |
O43 | C43 | C42 | H431 | 119.9° | 120.2° |
O43 | C43 | C42 | C41 | 171.8° | 176.9° |
O43 | C43 | C44 | H431 | 117.1° | 120.1° |
O43 | C43 | C44 | O44 | 51.0° | 63.2° |
O43 | C43 | C44 | C45 | 175.2° | 177.0° |
O43 | C43 | C44 | H441 | 69.6° | 57.0° |
O43 | C43 | C42 | H421 | 76.1° | 57.0° |
C43 | C42 | C41 | H421 | 112.1° | 119.9° |
C42 | C43 | C44 | H431 | 112.4° | 119.9° |
C43 | C42 | C41 | O41 | 56.4° | 62.4° |
C43 | C42 | C41 | O45 | 61.8° | 57.6° |
C42 | C43 | C44 | O44 | 178.5° | 176.9° |
C42 | C43 | C44 | C45 | 54.3° | 57.0° |
C42 | C43 | C44 | H441 | 60.9° | 62.9° |
C42 | C43 | O43 | HO43 | 180.0° | 60.3° |
C43 | C42 | O42 | HO42 | 180.0° | 180.0° |
C43 | C42 | C41 | H411 | 178.5° | 177.6° |
C41 | C42 | C43 | C44 | 60.7° | 57.0° |
C42 | C41 | O41 | O45 | 121.5° | 119.9° |
C42 | C41 | O41 | H411 | 121.2° | 120.0° |
C42 | C41 | O45 | H411 | 118.3° | 120.1° |
C42 | C41 | O45 | C45 | 56.4° | 61.1° |
C41 | C42 | C43 | H431 | 51.9° | 62.9° |
C41 | C42 | O42 | HO42 | 52.8° | 60.3° |
C42 | C41 | O41 | HO41 | 180.0° | 180.0° |
C43 | C44 | O44 | C45 | 124.1° | 119.7° |
C43 | C44 | O44 | H441 | 120.0° | 120.3° |
C43 | C44 | C45 | H441 | 115.3° | 120.0° |
C43 | C44 | O44 | C31 | 74.3° | 85.1° |
C43 | C44 | C45 | O45 | 50.8° | 57.6° |
C43 | C44 | C45 | C46 | 168.2° | 177.6° |
C44 | C43 | O43 | HO43 | 55.6° | 179.9° |
C44 | C43 | C42 | H421 | 51.4° | 62.9° |
C43 | C44 | C45 | H451 | 72.8° | 62.4° |
O41 | C41 | O45 | H411 | 116.9° | 120.0° |
O41 | C41 | O45 | C45 | 68.4° | 58.8° |
O41 | C41 | C42 | H421 | 168.5° | 177.7° |
C41 | O45 | C45 | C44 | 52.2° | 61.1° |
C41 | O45 | C45 | C46 | 174.3° | 178.9° |
O45 | C41 | C42 | H421 | 50.3° | 62.3° |
O45 | C41 | O41 | HO41 | 58.5° | 60.1° |
C41 | O45 | C45 | H451 | 70.4° | 58.9° |
O32 | C32 | C31 | C33 | 125.0° | 120.0° |
O32 | C32 | C31 | H321 | 117.5° | 120.1° |
O32 | C32 | C31 | O44 | 49.1° | 57.6° |
O32 | C32 | C31 | O35 | 172.4° | 177.6° |
O32 | C32 | C33 | H321 | 118.9° | 120.1° |
O32 | C32 | C33 | O33 | 62.0° | 63.1° |
O32 | C32 | C33 | C34 | 177.0° | 176.9° |
O32 | C32 | C33 | H331 | 59.1° | 57.0° |
O32 | C32 | C31 | H311 | 70.2° | 62.4° |
O44 | C44 | C45 | H441 | 116.6° | 120.1° |
C44 | O44 | C31 | C32 | 145.3° | 167.6° |
C44 | O44 | C31 | O35 | 90.7° | 72.4° |
O44 | C44 | C45 | O45 | 179.0° | 177.5° |
O44 | C44 | C45 | C46 | 63.6° | 62.5° |
C44 | O44 | C31 | H311 | 26.8° | 47.6° |
O44 | C44 | C43 | H431 | 66.1° | 57.0° |
O44 | C44 | C45 | H451 | 55.3° | 57.5° |
C45 | C44 | O44 | C31 | 161.6° | 155.2° |
C44 | C45 | O45 | C46 | 122.0° | 120.0° |
C44 | C45 | O45 | H451 | 122.6° | 120.0° |
C44 | C45 | C46 | H451 | 118.6° | 120.0° |
C44 | C45 | C46 | O46 | 67.7° | 175.9° |
C45 | C44 | C43 | H431 | 58.1° | 62.9° |
C44 | C45 | C46 | H461 | 171.6° | 55.9° |
C44 | C45 | C46 | H462 | 53.1° | 64.2° |
C32 | C31 | O44 | O35 | 124.1° | 119.9° |
C32 | C31 | O44 | H311 | 118.5° | 120.1° |
C32 | C31 | O35 | H311 | 116.4° | 120.1° |
C31 | C32 | C33 | H321 | 117.5° | 119.9° |
C32 | C31 | O35 | C35 | 49.5° | 61.1° |
C31 | C32 | C33 | O33 | 174.4° | 176.9° |
C31 | C32 | C33 | C34 | 53.5° | 56.9° |
C31 | C32 | C33 | H331 | 64.5° | 63.0° |
C31 | C32 | O32 | HO32 | 180.0° | 60.3° |
O44 | C31 | O35 | H311 | 117.2° | 119.9° |
O44 | C31 | C32 | C33 | 75.9° | 62.4° |
O44 | C31 | O35 | C35 | 76.9° | 58.9° |
O44 | C31 | C32 | H321 | 166.6° | 177.7° |
C31 | O44 | C44 | H441 | 45.7° | 35.1° |
O35 | C31 | C32 | C33 | 47.4° | 57.6° |
C31 | O35 | C35 | C34 | 56.0° | 61.0° |
C31 | O35 | C35 | C36 | 179.3° | 178.9° |
O35 | C31 | C32 | H321 | 70.1° | 62.3° |
C31 | O35 | C35 | H351 | 62.2° | 59.0° |
O45 | C45 | C46 | H451 | 116.4° | 120.0° |
O45 | C45 | C46 | O46 | 57.4° | 64.2° |
O45 | C45 | C44 | H441 | 64.4° | 62.4° |
C45 | O45 | C41 | H411 | 174.7° | 178.8° |
O45 | C45 | C46 | H461 | 63.4° | 175.9° |
O45 | C45 | C46 | H462 | 178.1° | 55.8° |
C32 | C33 | O33 | C34 | 122.2° | 119.6° |
C32 | C33 | O33 | H331 | 120.2° | 120.2° |
C32 | C33 | C34 | H331 | 118.0° | 119.9° |
C32 | C33 | C34 | C35 | 55.9° | 56.9° |
C32 | C33 | C34 | O34 | 178.4° | 176.9° |
C32 | C33 | C34 | H341 | 62.1° | 63.1° |
C32 | C33 | O33 | HO33 | 180.0° | 60.3° |
C33 | C32 | O32 | HO32 | 54.6° | 180.0° |
C33 | C32 | C31 | H311 | 164.8° | 177.6° |
C45 | C46 | O46 | H461 | 120.7° | 120.0° |
C45 | C46 | O46 | H462 | 120.8° | 120.0° |
C46 | C45 | C44 | H441 | 53.0° | 57.6° |
C45 | C46 | H461 | H462 | 117.7° | 120.1° |
C45 | C46 | O46 | HO46 | 180.0° | 180.0° |
O35 | C35 | C34 | C33 | 56.0° | 57.5° |
O35 | C35 | C34 | C36 | 125.0° | 120.1° |
O35 | C35 | C34 | H351 | 118.9° | 120.0° |
O35 | C35 | C36 | H351 | 118.0° | 120.0° |
O35 | C35 | C36 | O36 | 65.1° | 64.1° |
O35 | C35 | C34 | O34 | 175.8° | 177.4° |
O35 | C35 | C34 | H341 | 61.9° | 62.4° |
C35 | O35 | C31 | H311 | 165.9° | 178.8° |
O35 | C35 | C36 | H362 | 55.4° | 175.9° |
O35 | C35 | C36 | H361 | 174.4° | 56.0° |
O33 | C33 | C34 | H331 | 118.7° | 120.1° |
O33 | C33 | C34 | C35 | 179.3° | 176.8° |
O33 | C33 | C34 | O34 | 58.2° | 63.2° |
O33 | C33 | C34 | H341 | 61.3° | 56.9° |
O33 | C33 | C32 | H321 | 56.9° | 57.0° |
C33 | C34 | C35 | O34 | 119.8° | 120.0° |
C33 | C34 | C35 | H341 | 117.9° | 119.9° |
C33 | C34 | C35 | C36 | 178.9° | 177.5° |
C33 | C34 | O34 | H341 | 118.9° | 120.0° |
C33 | C34 | O34 | C21 | 122.2° | 85.0° |
C34 | C33 | O33 | HO33 | 57.9° | 180.0° |
C34 | C33 | C32 | H321 | 64.0° | 62.9° |
C33 | C34 | C35 | H351 | 62.9° | 62.5° |
O46 | C46 | C45 | H451 | 173.7° | 55.8° |
O46 | C46 | H461 | H462 | 117.7° | 119.9° |
C34 | C35 | C36 | H351 | 116.2° | 120.0° |
C34 | C35 | C36 | O36 | 60.7° | 175.9° |
C35 | C34 | O34 | H341 | 122.0° | 120.2° |
C35 | C34 | O34 | C21 | 118.7° | 155.2° |
C35 | C34 | C33 | H331 | 62.0° | 63.0° |
C34 | C35 | C36 | H362 | 178.8° | 55.8° |
C34 | C35 | C36 | H361 | 59.8° | 64.1° |
C35 | C36 | O36 | H362 | 120.5° | 120.0° |
C35 | C36 | O36 | H361 | 120.5° | 120.0° |
C36 | C35 | C34 | O34 | 59.2° | 62.5° |
C36 | C35 | C34 | H341 | 63.2° | 57.6° |
C35 | C36 | H362 | H361 | 118.5° | 119.9° |
C35 | C36 | O36 | HO36 | 180.0° | 180.0° |
O36 | C36 | C35 | H351 | 176.9° | 55.9° |
O36 | C36 | H362 | H361 | 118.5° | 120.0° |
C34 | O34 | C21 | O25 | 102.1° | 72.3° |
C34 | O34 | C21 | C22 | 132.7° | 167.7° |
C34 | O34 | C21 | H211 | 15.0° | 47.7° |
O34 | C34 | C33 | H331 | 60.5° | 56.9° |
O34 | C34 | C35 | H351 | 56.9° | 57.5° |
O34 | C21 | C22 | O22 | 50.3° | 57.5° |
O34 | C21 | O25 | C22 | 123.9° | 119.9° |
O34 | C21 | O25 | H211 | 117.0° | 120.0° |
O34 | C21 | C22 | H211 | 118.4° | 120.0° |
O34 | C21 | O25 | C25 | 70.2° | 58.8° |
O34 | C21 | C22 | C23 | 74.5° | 62.4° |
O34 | C21 | C22 | H221 | 168.0° | 177.7° |
C21 | O34 | C34 | H341 | 3.3° | 35.0° |
O22 | C22 | C21 | O25 | 172.0° | 177.5° |
O22 | C22 | C21 | C23 | 124.8° | 119.9° |
O22 | C22 | C21 | H221 | 117.7° | 120.2° |
O22 | C22 | C23 | H221 | 120.9° | 120.2° |
O22 | C22 | C23 | C24 | 170.5° | 176.9° |
O22 | C22 | C23 | O23 | 66.4° | 63.2° |
O22 | C22 | C23 | H231 | 52.4° | 57.0° |
O22 | C22 | C21 | H211 | 68.1° | 62.5° |
O25 | C21 | C22 | H211 | 119.9° | 120.0° |
O25 | C21 | C22 | C23 | 47.2° | 57.6° |
C21 | O25 | C25 | C26 | 179.4° | 178.9° |
C21 | O25 | C25 | C24 | 58.4° | 61.1° |
O25 | C21 | C22 | H221 | 70.3° | 62.3° |
C21 | O25 | C25 | H251 | 61.7° | 58.9° |
C22 | C21 | O25 | C25 | 53.7° | 61.1° |
C21 | C22 | C23 | H221 | 117.7° | 119.9° |
C21 | C22 | C23 | C24 | 49.1° | 57.0° |
C21 | C22 | C23 | O23 | 172.2° | 176.8° |
C21 | C22 | C23 | H231 | 69.1° | 63.0° |
C21 | C22 | O22 | HO22 | 180.0° | 60.4° |
O25 | C25 | C26 | C24 | 121.0° | 120.0° |
O25 | C25 | C26 | H251 | 119.8° | 120.1° |
O25 | C25 | C24 | H251 | 121.0° | 120.0° |
O25 | C25 | C24 | C23 | 57.0° | 57.5° |
O25 | C25 | C26 | O26 | 50.1° | 63.9° |
O25 | C25 | C24 | O24 | 178.9° | 177.5° |
O25 | C25 | C24 | H241 | 61.4° | 62.4° |
C25 | O25 | C21 | H211 | 172.8° | 178.8° |
O25 | C25 | C26 | H261 | 70.0° | 176.0° |
O25 | C25 | C26 | H262 | 170.3° | 56.1° |
C22 | C23 | C24 | C25 | 54.1° | 57.0° |
C22 | C23 | C24 | O23 | 121.9° | 119.9° |
C22 | C23 | C24 | H231 | 118.1° | 120.0° |
C22 | C23 | O23 | H231 | 117.8° | 120.3° |
C22 | C23 | C24 | O24 | 173.6° | 176.9° |
C22 | C23 | C24 | H241 | 64.4° | 63.0° |
C22 | C23 | O23 | HO23 | 180.0° | 60.5° |
C23 | C22 | O22 | HO22 | 57.0° | 179.9° |
C23 | C22 | C21 | H211 | 167.1° | 177.6° |
C26 | C25 | C24 | H251 | 119.2° | 119.9° |
C26 | C25 | C24 | C23 | 176.7° | 177.6° |
C25 | C26 | O26 | H261 | 120.2° | 120.0° |
C25 | C26 | O26 | H262 | 120.2° | 120.0° |
C26 | C25 | C24 | O24 | 61.4° | 62.5° |
C26 | C25 | C24 | H241 | 58.4° | 57.6° |
C25 | C26 | H261 | H262 | 119.4° | 119.9° |
C25 | C26 | O26 | HO26 | 180.0° | 180.0° |
C25 | C24 | C23 | O24 | 119.5° | 119.9° |
C25 | C24 | C23 | H241 | 118.5° | 119.9° |
C25 | C24 | C23 | O23 | 175.9° | 176.8° |
C24 | C25 | C26 | O26 | 70.9° | 176.1° |
C25 | C24 | O24 | H241 | 118.9° | 120.2° |
C25 | C24 | O24 | C11 | 99.9° | 155.4° |
C25 | C24 | C23 | H231 | 64.1° | 63.0° |
C24 | C25 | C26 | H261 | 168.9° | 56.1° |
C24 | C25 | C26 | H262 | 49.3° | 63.9° |
C24 | C23 | O23 | H231 | 119.0° | 120.2° |
C23 | C24 | O24 | H241 | 121.1° | 120.1° |
C23 | C24 | O24 | C11 | 140.1° | 84.9° |
C24 | C23 | O23 | HO23 | 56.8° | 180.0° |
C24 | C23 | C22 | H221 | 68.6° | 62.9° |
C23 | C24 | C25 | H251 | 64.1° | 62.5° |
O23 | C23 | C24 | O24 | 64.5° | 63.2° |
O23 | C23 | C24 | H241 | 57.5° | 56.9° |
O23 | C23 | C22 | H221 | 54.5° | 57.0° |
O26 | C26 | C25 | H251 | 170.0° | 56.1° |
O26 | C26 | H261 | H262 | 119.4° | 120.0° |
C24 | O24 | C11 | O15 | 128.8° | 68.6° |
C24 | O24 | C11 | C12 | 108.9° | 171.5° |
C24 | O24 | C11 | H111 | 8.7° | 51.4° |
O24 | C24 | C23 | H231 | 55.4° | 56.9° |
O24 | C24 | C25 | H251 | 57.9° | 57.4° |
O24 | C11 | O15 | C12 | 118.5° | 120.0° |
O24 | C11 | O15 | H111 | 120.0° | 120.0° |
O24 | C11 | C12 | H111 | 118.4° | 120.0° |
O24 | C11 | C12 | O12 | 52.0° | 57.5° |
O24 | C11 | O15 | C15 | 66.8° | 58.8° |
O24 | C11 | C12 | C13 | 72.3° | 62.4° |
O24 | C11 | C12 | H121 | 169.9° | 177.7° |
C11 | O24 | C24 | H241 | 19.0° | 35.3° |
O15 | C11 | C12 | H111 | 122.2° | 120.0° |
O15 | C11 | C12 | O12 | 171.3° | 177.5° |
C11 | O15 | C15 | C16 | 177.6° | 178.9° |
C11 | O15 | C15 | C14 | 58.5° | 61.1° |
O15 | C11 | C12 | C13 | 47.1° | 57.6° |
O15 | C11 | C12 | H121 | 70.8° | 62.3° |
C11 | O15 | C15 | H151 | 60.0° | 58.9° |
C11 | C12 | O12 | C13 | 124.1° | 119.7° |
C11 | C12 | O12 | H121 | 117.3° | 120.2° |
C12 | C11 | O15 | C15 | 51.8° | 61.1° |
C11 | C12 | C13 | H121 | 117.9° | 119.9° |
C11 | C12 | C13 | C14 | 51.3° | 57.0° |
C11 | C12 | C13 | O13 | 173.4° | 176.9° |
C11 | C12 | C13 | H131 | 66.1° | 63.0° |
C11 | C12 | O12 | HO12 | 180.0° | 60.3° |
O12 | C12 | C13 | H121 | 119.3° | 120.1° |
O12 | C12 | C13 | C14 | 174.1° | 176.9° |
O12 | C12 | C13 | O13 | 63.7° | 63.2° |
O12 | C12 | C13 | H131 | 56.7° | 57.0° |
O12 | C12 | C11 | H111 | 66.5° | 62.4° |
O15 | C15 | C16 | C14 | 123.1° | 120.0° |
O15 | C15 | C16 | H151 | 118.4° | 120.0° |
O15 | C15 | C14 | H151 | 119.5° | 119.9° |
O15 | C15 | C16 | O16 | 53.8° | 65.0° |
O15 | C15 | C14 | C13 | 59.6° | 57.5° |
O15 | C15 | C14 | O14 | 178.3° | 177.4° |
O15 | C15 | C14 | H141 | 57.0° | 62.4° |
C15 | O15 | C11 | H111 | 173.2° | 178.8° |
O15 | C15 | C16 | H161 | 66.2° | 174.9° |
O15 | C15 | C16 | H162 | 173.8° | 55.0° |
C16 | C15 | C14 | H151 | 118.6° | 120.0° |
C15 | C16 | O16 | H161 | 120.0° | 120.0° |
C15 | C16 | O16 | H162 | 120.0° | 120.0° |
C16 | C15 | C14 | C13 | 178.6° | 177.6° |
C16 | C15 | C14 | O14 | 56.4° | 62.5° |
C16 | C15 | C14 | H141 | 64.9° | 57.6° |
C15 | C16 | H161 | H162 | 120.0° | 120.0° |
C15 | C16 | O16 | HO16 | 180.0° | 180.0° |
C15 | C14 | C13 | C12 | 56.6° | 57.0° |
C14 | C15 | C16 | O16 | 69.3° | 175.0° |
C15 | C14 | C13 | O14 | 123.6° | 119.9° |
C15 | C14 | C13 | H141 | 116.5° | 120.0° |
C15 | C14 | C13 | O13 | 179.0° | 176.9° |
C15 | C14 | O14 | H141 | 120.5° | 120.1° |
C15 | C14 | O14 | HO14 | 180.0° | 179.9° |
C15 | C14 | C13 | H131 | 60.9° | 63.0° |
C14 | C15 | C16 | H161 | 170.7° | 55.0° |
C14 | C15 | C16 | H162 | 50.7° | 65.0° |
C12 | C13 | C14 | O13 | 124.3° | 119.9° |
C12 | C13 | C14 | H131 | 117.5° | 120.0° |
C12 | C13 | O13 | H131 | 119.7° | 120.2° |
C12 | C13 | C14 | O14 | 179.8° | 176.9° |
C12 | C13 | C14 | H141 | 59.9° | 63.0° |
C12 | C13 | O13 | HO13 | 180.0° | 60.4° |
C13 | C12 | O12 | HO12 | 55.9° | 180.0° |
C13 | C12 | C11 | H111 | 169.3° | 177.6° |
O16 | C16 | C15 | H151 | 172.3° | 55.0° |
O16 | C16 | H161 | H162 | 119.9° | 120.0° |
C14 | C13 | O13 | H131 | 117.3° | 120.2° |
C13 | C14 | O14 | H141 | 119.0° | 120.1° |
C13 | C14 | O14 | HO14 | 59.5° | 60.2° |
C14 | C13 | O13 | HO13 | 57.0° | 180.0° |
C14 | C13 | C12 | H121 | 66.6° | 62.9° |
C13 | C14 | C15 | H151 | 59.9° | 62.4° |
O13 | C13 | C14 | O14 | 55.4° | 63.2° |
O13 | C13 | C14 | H141 | 64.4° | 56.9° |
O13 | C13 | C12 | H121 | 55.5° | 57.0° |
O14 | C14 | C13 | H131 | 62.7° | 56.9° |
O14 | C14 | C15 | H151 | 62.3° | 57.5° |
HO14 | O14 | C14 | H141 | 59.6° | 60.0° |
H141 | C14 | C13 | H131 | 177.4° | 177.0° |
H141 | C14 | C15 | H151 | 176.5° | 177.6° |
H131 | C13 | O13 | HO13 | 60.3° | 59.9° |
H131 | C13 | C12 | H121 | 176.0° | 177.1° |
H121 | C12 | O12 | HO12 | 62.7° | 59.9° |
H121 | C12 | C11 | H111 | 51.4° | 57.8° |
H151 | C15 | C16 | H161 | 52.2° | 65.1° |
H151 | C15 | C16 | H162 | 67.7° | 175.0° |
H161 | C16 | O16 | HO16 | 59.9° | 60.0° |
H162 | C16 | O16 | HO16 | 60.0° | 59.9° |
H241 | C24 | C23 | H231 | 177.4° | 177.0° |
H241 | C24 | C25 | H251 | 177.6° | 177.6° |
H231 | C23 | O23 | HO23 | 62.2° | 59.8° |
H231 | C23 | C22 | H221 | 173.2° | 177.2° |
H221 | C22 | O22 | HO22 | 63.1° | 59.8° |
H221 | C22 | C21 | H211 | 49.6° | 57.7° |
H251 | C25 | C26 | H261 | 49.8° | 63.9° |
H251 | C25 | C26 | H262 | 69.8° | 176.1° |
H261 | C26 | O26 | HO26 | 59.8° | 60.0° |
H262 | C26 | O26 | HO26 | 59.8° | 60.0° |
H341 | C34 | C33 | H331 | 179.9° | 177.0° |
H341 | C34 | C35 | H351 | 179.2° | 177.6° |
H331 | C33 | O33 | HO33 | 59.8° | 59.9° |
H331 | C33 | C32 | H321 | 178.0° | 177.2° |
H321 | C32 | O32 | HO32 | 63.4° | 59.8° |
H321 | C32 | C31 | H311 | 47.3° | 57.7° |
H351 | C35 | C36 | H362 | 62.6° | 64.2° |
H351 | C35 | C36 | H361 | 56.4° | 175.9° |
H362 | C36 | O36 | HO36 | 59.5° | 59.9° |
H361 | C36 | O36 | HO36 | 59.5° | 60.0° |
H441 | C44 | C43 | H431 | 173.3° | 177.2° |
H441 | C44 | C45 | H451 | 171.9° | 177.6° |
H431 | C43 | O43 | HO43 | 60.8° | 59.9° |
H431 | C43 | C42 | H421 | 164.0° | 177.2° |
H421 | C42 | O42 | HO42 | 61.9° | 59.9° |
H421 | C42 | C41 | H411 | 69.4° | 57.7° |
H411 | C41 | O41 | HO41 | 58.8° | 60.0° |
H451 | C45 | C46 | H461 | 53.0° | 64.1° |
H451 | C45 | C46 | H462 | 65.5° | 175.8° |
H461 | C46 | O46 | HO46 | 59.3° | 60.0° |
H462 | C46 | O46 | HO46 | 59.2° | 60.0° |