Obsolete: X5S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C21 | sing | 1.43Å | 1.44Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| C21 | C11 | sing | 1.53Å | 1.54Å | |
| C21 | C31 | sing | 1.53Å | 1.54Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| O31 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | C41 | sing | 1.53Å | 1.55Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| C41 | C51 | sing | 1.53Å | 1.54Å | |
| C41 | O41 | sing | 1.43Å | 1.43Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| O51 | C51 | sing | 1.43Å | 1.45Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C11 | O51 | sing | 1.43Å | 1.47Å | |
| S42 | C11 | sing | 1.81Å | 1.84Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C42 | S42 | sing | 1.81Å | 1.83Å | |
| C52 | C42 | sing | 1.53Å | 1.54Å | |
| C42 | C32 | sing | 1.53Å | 1.55Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C22 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | O32 | sing | 1.43Å | 1.41Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| C12 | C22 | sing | 1.53Å | 1.52Å | |
| O22 | C22 | sing | 1.43Å | 1.43Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| O52 | C52 | sing | 1.43Å | 1.45Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C12 | O52 | sing | 1.43Å | 1.43Å | |
| S43 | C12 | sing | 1.81Å | 1.79Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C43 | S43 | sing | 1.81Å | 1.84Å | |
| C33 | C43 | sing | 1.53Å | 1.55Å | |
| C53 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | O33 | sing | 1.43Å | 1.44Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| O23 | C23 | sing | 1.43Å | 1.42Å | |
| C13 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| O53 | C53 | sing | 1.43Å | 1.46Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C13 | O53 | sing | 1.43Å | 1.44Å | |
| S13 | C13 | sing | 1.81Å | 1.84Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C44 | S13 | sing | 1.81Å | 1.83Å | |
| C54 | C44 | sing | 1.53Å | 1.53Å | |
| C34 | C44 | sing | 1.53Å | 1.55Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | O34 | sing | 1.43Å | 1.42Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| C14 | C24 | sing | 1.53Å | 1.52Å | |
| O24 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| O54 | C54 | sing | 1.43Å | 1.43Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| C14 | O54 | sing | 1.43Å | 1.43Å | |
| S45 | C14 | sing | 1.81Å | 1.81Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C45 | S45 | sing | 1.81Å | 1.83Å | |
| C55 | C45 | sing | 1.53Å | 1.54Å | |
| C45 | C35 | sing | 1.53Å | 1.56Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| O55 | C55 | sing | 1.43Å | 1.45Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H55A | sing | 1.09Å | 1.10Å | |
| O55 | C15 | sing | 1.43Å | 1.47Å | |
| O15 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C25 | sing | 1.53Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| C25 | O25 | sing | 1.43Å | 1.43Å | |
| C25 | C35 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| C35 | O35 | sing | 1.43Å | 1.44Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| O35 | HO35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | O21 | HO21 | 109.5° | 114.0° |
| O21 | C21 | C11 | 110.5° | 109.5° |
| O21 | C21 | C31 | 108.7° | 109.5° |
| O21 | C21 | H21 | 110.0° | 109.6° |
| C11 | C21 | C31 | 111.5° | 109.1° |
| C11 | C21 | H21 | 107.1° | 109.5° |
| C21 | C11 | O51 | 113.3° | 109.5° |
| C21 | C11 | S42 | 109.8° | 109.4° |
| C21 | C11 | H11 | 106.8° | 109.5° |
| C31 | C21 | H21 | 109.0° | 109.5° |
| C21 | C31 | O31 | 107.8° | 109.6° |
| C21 | C31 | C41 | 112.3° | 109.0° |
| C21 | C31 | H31 | 108.9° | 109.5° |
| O31 | C31 | C41 | 110.1° | 109.5° |
| O31 | C31 | H31 | 111.2° | 109.6° |
| C31 | O31 | HO31 | 109.5° | 114.0° |
| C41 | C31 | H31 | 106.6° | 109.5° |
| C31 | C41 | C51 | 111.9° | 109.2° |
| C31 | C41 | O41 | 110.0° | 109.5° |
| C31 | C41 | H41 | 107.4° | 109.5° |
| C51 | C41 | O41 | 109.2° | 109.5° |
| C51 | C41 | H41 | 108.2° | 109.5° |
| C41 | C51 | O51 | 109.0° | 109.4° |
| C41 | C51 | H51 | 109.7° | 109.5° |
| C41 | C51 | H51A | 109.7° | 109.5° |
| O41 | C41 | H41 | 110.1° | 109.6° |
| C41 | O41 | HO41 | 109.5° | 114.0° |
| O51 | C51 | H51 | 109.6° | 109.5° |
| O51 | C51 | H51A | 109.7° | 109.5° |
| C51 | O51 | C11 | 114.1° | 114.1° |
| H51 | C51 | H51A | 109.1° | 109.4° |
| O51 | C11 | S42 | 109.8° | 109.5° |
| O51 | C11 | H11 | 106.7° | 109.5° |
| S42 | C11 | H11 | 110.4° | 109.5° |
| C11 | S42 | C42 | 95.8° | 103.0° |
| S42 | C42 | C52 | 110.9° | 109.5° |
| S42 | C42 | C32 | 112.2° | 109.5° |
| S42 | C42 | H42 | 107.5° | 109.5° |
| C52 | C42 | C32 | 112.0° | 109.2° |
| C52 | C42 | H42 | 107.7° | 109.5° |
| C42 | C52 | O52 | 106.6° | 109.4° |
| C42 | C52 | H52 | 110.5° | 109.4° |
| C42 | C52 | H52A | 111.1° | 109.5° |
| C32 | C42 | H42 | 106.3° | 109.5° |
| C42 | C32 | C22 | 108.6° | 109.0° |
| C42 | C32 | O32 | 110.6° | 109.5° |
| C42 | C32 | H32 | 109.3° | 109.5° |
| C22 | C32 | O32 | 109.5° | 109.6° |
| C22 | C32 | H32 | 110.4° | 109.6° |
| C32 | C22 | C12 | 105.0° | 109.2° |
| C32 | C22 | O22 | 111.5° | 109.5° |
| C32 | C22 | H22 | 111.6° | 109.5° |
| O32 | C32 | H32 | 108.4° | 109.5° |
| C32 | O32 | HO32 | 109.5° | 114.0° |
| C12 | C22 | O22 | 110.8° | 109.6° |
| C12 | C22 | H22 | 112.2° | 109.5° |
| C22 | C12 | O52 | 111.5° | 109.4° |
| C22 | C12 | S43 | 104.4° | 109.4° |
| C22 | C12 | H12 | 110.4° | 109.5° |
| O22 | C22 | H22 | 105.9° | 109.5° |
| C22 | O22 | HO22 | 109.5° | 114.0° |
| O52 | C52 | H52 | 110.5° | 109.5° |
| O52 | C52 | H52A | 111.1° | 109.5° |
| C52 | O52 | C12 | 106.2° | 114.0° |
| H52 | C52 | H52A | 107.2° | 109.5° |
| O52 | C12 | S43 | 105.9° | 109.4° |
| O52 | C12 | H12 | 108.9° | 109.5° |
| S43 | C12 | H12 | 115.6° | 109.5° |
| C12 | S43 | C43 | 101.0° | 102.9° |
| S43 | C43 | C33 | 114.5° | 109.5° |
| S43 | C43 | C53 | 108.3° | 109.5° |
| S43 | C43 | H43 | 107.1° | 109.5° |
| C33 | C43 | C53 | 110.2° | 109.2° |
| C33 | C43 | H43 | 105.1° | 109.5° |
| C43 | C33 | C23 | 110.9° | 109.0° |
| C43 | C33 | O33 | 111.8° | 109.5° |
| C43 | C33 | H33 | 106.3° | 109.5° |
| C53 | C43 | H43 | 111.6° | 109.5° |
| C43 | C53 | O53 | 112.4° | 109.5° |
| C43 | C53 | H53 | 108.5° | 109.5° |
| C43 | C53 | H53A | 107.9° | 109.5° |
| C23 | C33 | O33 | 107.5° | 109.6° |
| C23 | C33 | H33 | 110.7° | 109.6° |
| C33 | C23 | O23 | 112.2° | 109.5° |
| C33 | C23 | C13 | 112.1° | 109.2° |
| C33 | C23 | H23 | 105.4° | 109.5° |
| O33 | C33 | H33 | 109.7° | 109.6° |
| C33 | O33 | HO33 | 109.5° | 114.0° |
| O23 | C23 | C13 | 108.6° | 109.6° |
| O23 | C23 | H23 | 109.1° | 109.5° |
| C23 | O23 | HO23 | 109.5° | 114.0° |
| C13 | C23 | H23 | 109.3° | 109.5° |
| C23 | C13 | O53 | 105.2° | 109.4° |
| C23 | C13 | S13 | 108.2° | 109.5° |
| C23 | C13 | H13 | 114.5° | 109.5° |
| O53 | C53 | H53 | 108.5° | 109.5° |
| O53 | C53 | H53A | 107.8° | 109.5° |
| C53 | O53 | C13 | 109.7° | 114.0° |
| H53 | C53 | H53A | 111.8° | 109.4° |
| O53 | C13 | S13 | 113.6° | 109.4° |
| O53 | C13 | H13 | 109.2° | 109.5° |
| S13 | C13 | H13 | 106.3° | 109.5° |
| C13 | S13 | C44 | 102.8° | 103.0° |
| S13 | C44 | C54 | 105.7° | 109.6° |
| S13 | C44 | C34 | 112.9° | 109.5° |
| S13 | C44 | H44 | 111.5° | 109.5° |
| C54 | C44 | C34 | 114.1° | 109.2° |
| C54 | C44 | H44 | 110.2° | 109.5° |
| C44 | C54 | O54 | 111.2° | 109.4° |
| C44 | C54 | H54 | 108.9° | 109.5° |
| C44 | C54 | H54A | 108.5° | 109.5° |
| C34 | C44 | H44 | 102.6° | 109.5° |
| C44 | C34 | C24 | 110.5° | 109.0° |
| C44 | C34 | O34 | 111.4° | 109.6° |
| C44 | C34 | H34 | 107.5° | 109.5° |
| C24 | C34 | O34 | 109.5° | 109.5° |
| C24 | C34 | H34 | 109.4° | 109.6° |
| C34 | C24 | C14 | 103.9° | 109.1° |
| C34 | C24 | O24 | 111.4° | 109.5° |
| C34 | C24 | H24 | 112.7° | 109.5° |
| O34 | C34 | H34 | 108.5° | 109.6° |
| C34 | O34 | HO34 | 109.5° | 114.0° |
| C14 | C24 | O24 | 111.8° | 109.6° |
| C14 | C24 | H24 | 112.3° | 109.6° |
| C24 | C14 | O54 | 103.2° | 109.4° |
| C24 | C14 | S45 | 121.5° | 109.4° |
| C24 | C14 | H14 | 104.8° | 109.5° |
| O24 | C24 | H24 | 105.0° | 109.6° |
| C24 | O24 | HO24 | 109.5° | 114.0° |
| O54 | C54 | H54 | 108.9° | 109.5° |
| O54 | C54 | H54A | 108.5° | 109.5° |
| C54 | O54 | C14 | 104.8° | 114.1° |
| H54 | C54 | H54A | 110.8° | 109.4° |
| O54 | C14 | S45 | 105.9° | 109.5° |
| O54 | C14 | H14 | 120.7° | 109.6° |
| S45 | C14 | H14 | 102.1° | 109.5° |
| C14 | S45 | C45 | 98.4° | 103.0° |
| S45 | C45 | C55 | 108.1° | 109.5° |
| S45 | C45 | C35 | 112.4° | 109.5° |
| S45 | C45 | H45 | 109.8° | 109.5° |
| C55 | C45 | C35 | 113.1° | 109.2° |
| C55 | C45 | H45 | 109.0° | 109.6° |
| C45 | C55 | O55 | 116.8° | 109.4° |
| C45 | C55 | H55 | 107.1° | 109.5° |
| C45 | C55 | H55A | 105.5° | 109.5° |
| C35 | C45 | H45 | 104.3° | 109.5° |
| C45 | C35 | C25 | 110.1° | 109.0° |
| C45 | C35 | O35 | 113.2° | 109.5° |
| C45 | C35 | H35 | 106.5° | 109.5° |
| O55 | C55 | H55 | 107.1° | 109.5° |
| O55 | C55 | H55A | 105.4° | 109.5° |
| C55 | O55 | C15 | 113.0° | 114.1° |
| H55 | C55 | H55A | 115.4° | 109.4° |
| O55 | C15 | O15 | 112.8° | 109.4° |
| O55 | C15 | C25 | 105.3° | 109.4° |
| O55 | C15 | H15 | 111.6° | 109.6° |
| O15 | C15 | C25 | 113.4° | 109.5° |
| O15 | C15 | H15 | 103.0° | 109.5° |
| C15 | O15 | HO15 | 109.5° | 114.0° |
| C25 | C15 | H15 | 110.9° | 109.5° |
| C15 | C25 | O25 | 111.8° | 109.5° |
| C15 | C25 | C35 | 106.9° | 109.2° |
| C15 | C25 | H25 | 110.1° | 109.5° |
| O25 | C25 | C35 | 110.7° | 109.5° |
| O25 | C25 | H25 | 106.3° | 109.5° |
| C25 | O25 | HO25 | 109.5° | 113.9° |
| C35 | C25 | H25 | 111.2° | 109.6° |
| C25 | C35 | O35 | 109.6° | 109.6° |
| C25 | C35 | H35 | 110.3° | 109.6° |
| O35 | C35 | H35 | 107.0° | 109.6° |
| C35 | O35 | HO35 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C21 | C11 | C31 | 121.0° | 119.9° |
| O21 | C21 | C11 | H21 | 119.8° | 120.2° |
| O21 | C21 | C31 | H21 | 119.9° | 120.2° |
| O21 | C21 | C31 | O31 | 70.9° | 63.3° |
| O21 | C21 | C31 | C41 | 167.6° | 176.9° |
| O21 | C21 | C31 | H31 | 49.8° | 57.0° |
| O21 | C21 | C11 | O51 | 168.5° | 177.5° |
| O21 | C21 | C11 | S42 | 68.3° | 62.5° |
| O21 | C21 | C11 | H11 | 51.3° | 57.5° |
| HO21 | O21 | C21 | C11 | 102.6° | 60.0° |
| HO21 | O21 | C21 | C31 | 20.0° | 179.7° |
| HO21 | O21 | C21 | H21 | 139.3° | 60.1° |
| C11 | C21 | C31 | H21 | 118.1° | 119.9° |
| C11 | C21 | C31 | O31 | 167.0° | 176.8° |
| C11 | C21 | C31 | C41 | 45.6° | 57.0° |
| C11 | C21 | C31 | H31 | 72.2° | 62.9° |
| C21 | C11 | O51 | C51 | 56.4° | 61.2° |
| C21 | C11 | O51 | S42 | 123.1° | 120.0° |
| C21 | C11 | O51 | H11 | 117.2° | 120.0° |
| C21 | C11 | S42 | H11 | 117.4° | 120.0° |
| C21 | C11 | S42 | C42 | 135.1° | 175.0° |
| C21 | C31 | O31 | C41 | 122.8° | 119.6° |
| C21 | C31 | O31 | H31 | 119.3° | 120.2° |
| C21 | C31 | C41 | H31 | 119.2° | 119.9° |
| C21 | C31 | O31 | HO31 | 151.7° | 180.0° |
| C21 | C31 | C41 | C51 | 51.1° | 57.0° |
| C21 | C31 | C41 | O41 | 172.7° | 176.8° |
| C21 | C31 | C41 | H41 | 67.4° | 62.9° |
| C31 | C21 | C11 | O51 | 47.5° | 57.6° |
| C31 | C21 | C11 | S42 | 170.7° | 177.6° |
| C31 | C21 | C11 | H11 | 69.6° | 62.4° |
| H21 | C21 | C31 | O31 | 48.9° | 56.9° |
| H21 | C21 | C31 | C41 | 72.5° | 63.0° |
| H21 | C21 | C31 | H31 | 169.7° | 177.2° |
| H21 | C21 | C11 | O51 | 71.7° | 62.3° |
| H21 | C21 | C11 | S42 | 51.5° | 57.7° |
| H21 | C21 | C11 | H11 | 171.1° | 177.7° |
| O31 | C31 | C41 | H31 | 120.7° | 120.3° |
| O31 | C31 | C41 | C51 | 171.3° | 176.9° |
| O31 | C31 | C41 | O41 | 67.2° | 63.3° |
| O31 | C31 | C41 | H41 | 52.7° | 57.0° |
| C41 | C31 | O31 | HO31 | 28.8° | 60.4° |
| C31 | C41 | C51 | O41 | 122.0° | 119.9° |
| C31 | C41 | C51 | H41 | 118.1° | 119.9° |
| C31 | C41 | O41 | H41 | 118.2° | 120.2° |
| C31 | C41 | O41 | HO41 | 165.4° | 179.9° |
| C31 | C41 | C51 | O51 | 56.7° | 57.6° |
| C31 | C41 | C51 | H51 | 63.3° | 62.4° |
| C31 | C41 | C51 | H51A | 176.9° | 177.6° |
| H31 | C31 | O31 | HO31 | 89.0° | 59.7° |
| H31 | C31 | C41 | C51 | 68.1° | 62.9° |
| H31 | C31 | C41 | O41 | 53.5° | 57.0° |
| H31 | C31 | C41 | H41 | 173.4° | 177.2° |
| C51 | C41 | O41 | H41 | 118.7° | 120.1° |
| C51 | C41 | O41 | HO41 | 71.4° | 60.4° |
| C41 | C51 | O51 | H51 | 120.0° | 120.1° |
| C41 | C51 | O51 | H51A | 120.2° | 120.0° |
| C41 | C51 | H51 | H51A | 120.2° | 120.0° |
| C41 | C51 | O51 | C11 | 59.7° | 61.2° |
| O41 | C41 | C51 | O51 | 178.8° | 177.5° |
| O41 | C41 | C51 | H51 | 58.8° | 57.5° |
| O41 | C41 | C51 | H51A | 61.0° | 62.5° |
| H41 | C41 | O41 | HO41 | 47.3° | 59.7° |
| H41 | C41 | C51 | O51 | 61.4° | 62.3° |
| H41 | C41 | C51 | H51 | 178.6° | 177.7° |
| H41 | C41 | C51 | H51A | 58.8° | 57.7° |
| O51 | C51 | H51 | H51A | 120.2° | 120.0° |
| C51 | O51 | C11 | S42 | 179.5° | 178.9° |
| C51 | O51 | C11 | H11 | 60.8° | 58.9° |
| H51 | C51 | O51 | C11 | 60.3° | 58.9° |
| H51A | C51 | O51 | C11 | 179.9° | 178.8° |
| O51 | C11 | S42 | H11 | 117.4° | 120.0° |
| O51 | C11 | S42 | C42 | 99.7° | 65.0° |
| C11 | S42 | C42 | C52 | 109.0° | 65.3° |
| C11 | S42 | C42 | C32 | 125.0° | 175.0° |
| C11 | S42 | C42 | H42 | 8.5° | 54.8° |
| H11 | C11 | S42 | C42 | 17.6° | 55.0° |
| S42 | C42 | C52 | C32 | 126.1° | 119.9° |
| S42 | C42 | C52 | H42 | 117.4° | 120.2° |
| S42 | C42 | C32 | H42 | 117.2° | 120.2° |
| S42 | C42 | C32 | C22 | 179.8° | 176.9° |
| S42 | C42 | C32 | O32 | 59.5° | 63.2° |
| S42 | C42 | C32 | H32 | 59.7° | 56.9° |
| S42 | C42 | C52 | O52 | 175.3° | 177.5° |
| S42 | C42 | C52 | H52 | 64.7° | 57.5° |
| S42 | C42 | C52 | H52A | 54.2° | 62.5° |
| C52 | C42 | C32 | H42 | 117.4° | 119.9° |
| C52 | C42 | C32 | C22 | 54.8° | 57.0° |
| C52 | C42 | C32 | O32 | 175.1° | 176.9° |
| C52 | C42 | C32 | H32 | 65.7° | 63.0° |
| C42 | C52 | O52 | H52 | 120.0° | 120.0° |
| C42 | C52 | O52 | H52A | 121.1° | 120.0° |
| C42 | C52 | H52 | H52A | 121.2° | 120.0° |
| C42 | C52 | O52 | C12 | 65.0° | 61.2° |
| C42 | C32 | C22 | O32 | 120.9° | 119.9° |
| C42 | C32 | C22 | H32 | 119.8° | 119.9° |
| C42 | C32 | O32 | H32 | 119.8° | 120.1° |
| C42 | C32 | O32 | HO32 | 131.7° | 180.0° |
| C42 | C32 | C22 | C12 | 54.8° | 57.0° |
| C42 | C32 | C22 | O22 | 174.9° | 177.0° |
| C42 | C32 | C22 | H22 | 67.0° | 63.0° |
| C32 | C42 | C52 | O52 | 58.6° | 57.6° |
| C32 | C42 | C52 | H52 | 61.4° | 62.4° |
| C32 | C42 | C52 | H52A | 179.7° | 177.6° |
| H42 | C42 | C32 | C22 | 62.6° | 63.0° |
| H42 | C42 | C32 | O32 | 57.7° | 56.9° |
| H42 | C42 | C32 | H32 | 176.9° | 177.1° |
| H42 | C42 | C52 | O52 | 57.9° | 62.3° |
| H42 | C42 | C52 | H52 | 177.9° | 177.7° |
| H42 | C42 | C52 | H52A | 63.2° | 57.7° |
| C22 | C32 | O32 | H32 | 120.5° | 120.3° |
| C22 | C32 | O32 | HO32 | 108.6° | 60.4° |
| C32 | C22 | C12 | O22 | 120.5° | 119.9° |
| C32 | C22 | C12 | H22 | 121.4° | 119.9° |
| C32 | C22 | O22 | H22 | 121.5° | 120.1° |
| C32 | C22 | O22 | HO22 | 95.2° | 180.0° |
| C32 | C22 | C12 | O52 | 67.2° | 57.6° |
| C32 | C22 | C12 | S43 | 178.9° | 177.6° |
| C32 | C22 | C12 | H12 | 54.1° | 62.4° |
| O32 | C32 | C22 | C12 | 175.8° | 176.9° |
| O32 | C32 | C22 | O22 | 64.2° | 63.1° |
| O32 | C32 | C22 | H22 | 54.0° | 56.9° |
| H32 | C32 | O32 | HO32 | 11.9° | 59.9° |
| H32 | C32 | C22 | C12 | 65.0° | 62.9° |
| H32 | C32 | C22 | O22 | 55.1° | 57.1° |
| H32 | C32 | C22 | H22 | 173.2° | 177.1° |
| C12 | C22 | O22 | H22 | 121.9° | 120.2° |
| C12 | C22 | O22 | HO22 | 21.4° | 60.3° |
| C22 | C12 | O52 | C52 | 73.3° | 61.2° |
| C22 | C12 | O52 | S43 | 113.0° | 119.9° |
| C22 | C12 | O52 | H12 | 122.1° | 120.0° |
| C22 | C12 | S43 | H12 | 121.4° | 120.0° |
| C22 | C12 | S43 | C43 | 156.0° | 175.0° |
| O22 | C22 | C12 | O52 | 172.4° | 177.6° |
| O22 | C22 | C12 | S43 | 58.4° | 62.5° |
| O22 | C22 | C12 | H12 | 66.4° | 57.5° |
| H22 | C22 | O22 | HO22 | 143.3° | 59.9° |
| H22 | C22 | C12 | O52 | 54.2° | 62.3° |
| H22 | C22 | C12 | S43 | 59.7° | 57.6° |
| H22 | C22 | C12 | H12 | 175.5° | 177.7° |
| O52 | C52 | H52 | H52A | 121.2° | 120.1° |
| C52 | O52 | C12 | S43 | 173.7° | 178.9° |
| C52 | O52 | C12 | H12 | 48.7° | 58.8° |
| H52 | C52 | O52 | C12 | 55.0° | 58.8° |
| H52A | C52 | O52 | C12 | 173.9° | 178.9° |
| O52 | C12 | S43 | H12 | 120.7° | 120.1° |
| O52 | C12 | S43 | C43 | 86.1° | 65.1° |
| C12 | S43 | C43 | C33 | 90.2° | 175.2° |
| C12 | S43 | C43 | C53 | 146.3° | 65.1° |
| C12 | S43 | C43 | H43 | 25.8° | 55.0° |
| H12 | C12 | S43 | C43 | 34.6° | 55.0° |
| S43 | C43 | C33 | C53 | 122.5° | 119.9° |
| S43 | C43 | C33 | H43 | 117.2° | 120.1° |
| S43 | C43 | C53 | H43 | 117.7° | 120.2° |
| S43 | C43 | C33 | C23 | 166.1° | 176.9° |
| S43 | C43 | C33 | O33 | 73.9° | 63.2° |
| S43 | C43 | C33 | H33 | 45.8° | 56.9° |
| S43 | C43 | C53 | O53 | 176.9° | 177.5° |
| S43 | C43 | C53 | H53 | 56.9° | 57.5° |
| S43 | C43 | C53 | H53A | 64.4° | 62.5° |
| C33 | C43 | C53 | H43 | 116.4° | 119.9° |
| C43 | C33 | C23 | O33 | 122.5° | 119.8° |
| C43 | C33 | C23 | H33 | 117.7° | 119.9° |
| C43 | C33 | O33 | H33 | 117.6° | 120.2° |
| C43 | C33 | O33 | HO33 | 68.1° | 180.0° |
| C43 | C33 | C23 | O23 | 174.1° | 177.0° |
| C43 | C33 | C23 | C13 | 51.6° | 57.0° |
| C43 | C33 | C23 | H23 | 67.2° | 62.9° |
| C33 | C43 | C53 | O53 | 50.9° | 57.6° |
| C33 | C43 | C53 | H53 | 69.1° | 62.4° |
| C33 | C43 | C53 | H53A | 169.7° | 177.6° |
| C53 | C43 | C33 | C23 | 43.6° | 57.0° |
| C53 | C43 | C33 | O33 | 163.7° | 176.8° |
| C53 | C43 | C33 | H33 | 76.7° | 63.0° |
| C43 | C53 | O53 | H53 | 120.0° | 120.0° |
| C43 | C53 | O53 | H53A | 118.8° | 120.0° |
| C43 | C53 | H53 | H53A | 118.8° | 120.0° |
| C43 | C53 | O53 | C13 | 65.9° | 61.1° |
| H43 | C43 | C33 | C23 | 76.7° | 63.0° |
| H43 | C43 | C33 | O33 | 43.3° | 56.9° |
| H43 | C43 | C33 | H33 | 163.0° | 177.1° |
| H43 | C43 | C53 | O53 | 65.5° | 62.3° |
| H43 | C43 | C53 | H53 | 174.5° | 177.7° |
| H43 | C43 | C53 | H53A | 53.3° | 57.7° |
| C23 | C33 | O33 | H33 | 120.4° | 120.3° |
| C23 | C33 | O33 | HO33 | 170.0° | 60.5° |
| C33 | C23 | O23 | C13 | 124.4° | 119.7° |
| C33 | C23 | O23 | H23 | 116.5° | 120.1° |
| C33 | C23 | C13 | H23 | 116.5° | 119.9° |
| C33 | C23 | O23 | HO23 | 22.5° | 180.0° |
| C33 | C23 | C13 | O53 | 63.1° | 57.7° |
| C33 | C23 | C13 | S13 | 175.2° | 177.6° |
| C33 | C23 | C13 | H13 | 56.8° | 62.4° |
| O33 | C33 | C23 | O23 | 63.4° | 63.2° |
| O33 | C33 | C23 | C13 | 174.1° | 176.8° |
| O33 | C33 | C23 | H23 | 55.3° | 56.9° |
| H33 | C33 | O33 | HO33 | 49.6° | 59.9° |
| H33 | C33 | C23 | O23 | 56.4° | 57.1° |
| H33 | C33 | C23 | C13 | 66.1° | 62.9° |
| H33 | C33 | C23 | H23 | 175.1° | 177.2° |
| O23 | C23 | C13 | H23 | 119.0° | 120.2° |
| O23 | C23 | C13 | O53 | 172.4° | 177.6° |
| O23 | C23 | C13 | S13 | 50.7° | 62.5° |
| O23 | C23 | C13 | H13 | 67.7° | 57.6° |
| C13 | C23 | O23 | HO23 | 102.0° | 60.3° |
| C23 | C13 | O53 | C53 | 69.1° | 61.1° |
| C23 | C13 | O53 | S13 | 118.1° | 120.0° |
| C23 | C13 | O53 | H13 | 123.4° | 120.0° |
| C23 | C13 | S13 | H13 | 123.5° | 120.0° |
| C23 | C13 | S13 | C44 | 52.1° | 175.0° |
| H23 | C23 | O23 | HO23 | 138.9° | 59.9° |
| H23 | C23 | C13 | O53 | 53.4° | 62.2° |
| H23 | C23 | C13 | S13 | 68.3° | 57.7° |
| H23 | C23 | C13 | H13 | 173.3° | 177.7° |
| O53 | C53 | H53 | H53A | 118.8° | 120.0° |
| C53 | O53 | C13 | S13 | 172.8° | 178.9° |
| C53 | O53 | C13 | H13 | 54.3° | 58.9° |
| H53 | C53 | O53 | C13 | 54.1° | 58.9° |
| H53A | C53 | O53 | C13 | 175.4° | 178.9° |
| O53 | C13 | S13 | H13 | 120.1° | 120.0° |
| O53 | C13 | S13 | C44 | 64.3° | 65.1° |
| C13 | S13 | C44 | C54 | 120.3° | 65.1° |
| C13 | S13 | C44 | C34 | 114.3° | 175.1° |
| C13 | S13 | C44 | H44 | 0.6° | 55.0° |
| H13 | C13 | S13 | C44 | 175.6° | 54.9° |
| S13 | C44 | C54 | C34 | 124.6° | 120.0° |
| S13 | C44 | C54 | H44 | 120.6° | 120.1° |
| S13 | C44 | C34 | H44 | 120.1° | 120.1° |
| S13 | C44 | C34 | C24 | 158.6° | 176.9° |
| S13 | C44 | C34 | O34 | 79.4° | 63.2° |
| S13 | C44 | C34 | H34 | 39.3° | 57.0° |
| S13 | C44 | C54 | O54 | 166.2° | 177.5° |
| S13 | C44 | C54 | H54 | 46.2° | 57.5° |
| S13 | C44 | C54 | H54A | 74.5° | 62.4° |
| C54 | C44 | C34 | H44 | 119.2° | 119.9° |
| C54 | C44 | C34 | C24 | 37.9° | 56.9° |
| C54 | C44 | C34 | O34 | 159.9° | 176.8° |
| C54 | C44 | C34 | H34 | 81.4° | 63.0° |
| C44 | C54 | O54 | H54 | 120.0° | 120.0° |
| C44 | C54 | O54 | H54A | 119.3° | 120.0° |
| C44 | C54 | H54 | H54A | 119.3° | 120.0° |
| C44 | C54 | O54 | C14 | 63.1° | 61.1° |
| C44 | C34 | C24 | O34 | 123.1° | 119.9° |
| C44 | C34 | C24 | H34 | 118.2° | 119.9° |
| C44 | C34 | O34 | H34 | 118.1° | 120.2° |
| C44 | C34 | O34 | HO34 | 31.1° | 179.9° |
| C44 | C34 | C24 | C14 | 53.7° | 57.0° |
| C44 | C34 | C24 | O24 | 174.2° | 176.9° |
| C44 | C34 | C24 | H24 | 68.1° | 63.0° |
| C34 | C44 | C54 | O54 | 41.6° | 57.6° |
| C34 | C44 | C54 | H54 | 78.4° | 62.5° |
| C34 | C44 | C54 | H54A | 160.9° | 177.6° |
| H44 | C44 | C34 | C24 | 81.3° | 63.0° |
| H44 | C44 | C34 | O34 | 40.7° | 56.9° |
| H44 | C44 | C34 | H34 | 159.4° | 177.0° |
| H44 | C44 | C54 | O54 | 73.2° | 62.4° |
| H44 | C44 | C54 | H54 | 166.8° | 177.6° |
| H44 | C44 | C54 | H54A | 46.1° | 57.7° |
| C24 | C34 | O34 | H34 | 119.4° | 120.3° |
| C24 | C34 | O34 | HO34 | 153.6° | 60.5° |
| C34 | C24 | C14 | O24 | 120.3° | 119.9° |
| C34 | C24 | C14 | H24 | 122.1° | 119.9° |
| C34 | C24 | O24 | H24 | 122.2° | 120.1° |
| C34 | C24 | O24 | HO24 | 73.8° | 180.0° |
| C34 | C24 | C14 | O54 | 77.3° | 57.7° |
| C34 | C24 | C14 | S45 | 164.5° | 177.6° |
| C34 | C24 | C14 | H14 | 50.0° | 62.4° |
| O34 | C34 | C24 | C14 | 176.8° | 176.8° |
| O34 | C34 | C24 | O24 | 62.7° | 63.2° |
| O34 | C34 | C24 | H24 | 55.0° | 56.9° |
| H34 | C34 | O34 | HO34 | 87.0° | 59.8° |
| H34 | C34 | C24 | C14 | 64.5° | 62.9° |
| H34 | C34 | C24 | O24 | 56.1° | 57.0° |
| H34 | C34 | C24 | H24 | 173.7° | 177.2° |
| C14 | C24 | O24 | H24 | 122.0° | 120.2° |
| C14 | C24 | O24 | HO24 | 170.4° | 60.4° |
| C24 | C14 | O54 | C54 | 82.7° | 61.2° |
| C24 | C14 | O54 | S45 | 128.6° | 119.9° |
| C24 | C14 | O54 | H14 | 116.4° | 120.1° |
| C24 | C14 | S45 | H14 | 115.9° | 120.0° |
| C24 | C14 | S45 | C45 | 164.1° | 175.0° |
| O24 | C24 | C14 | O54 | 162.5° | 177.6° |
| O24 | C24 | C14 | S45 | 44.2° | 62.5° |
| O24 | C24 | C14 | H14 | 70.3° | 57.5° |
| H24 | C24 | O24 | HO24 | 48.4° | 59.9° |
| H24 | C24 | C14 | O54 | 44.8° | 62.2° |
| H24 | C24 | C14 | S45 | 73.4° | 57.7° |
| H24 | C24 | C14 | H14 | 172.0° | 177.7° |
| O54 | C54 | H54 | H54A | 119.3° | 120.1° |
| C54 | O54 | C14 | S45 | 148.7° | 178.9° |
| C54 | O54 | C14 | H14 | 33.8° | 58.8° |
| H54 | C54 | O54 | C14 | 56.9° | 58.9° |
| H54A | C54 | O54 | C14 | 177.6° | 178.9° |
| O54 | C14 | S45 | H14 | 127.2° | 120.1° |
| O54 | C14 | S45 | C45 | 78.9° | 65.1° |
| C14 | S45 | C45 | C55 | 151.4° | 65.3° |
| C14 | S45 | C45 | C35 | 83.0° | 175.0° |
| C14 | S45 | C45 | H45 | 32.7° | 54.9° |
| H14 | C14 | S45 | C45 | 48.2° | 55.0° |
| S45 | C45 | C55 | C35 | 125.2° | 119.9° |
| S45 | C45 | C55 | H45 | 119.2° | 120.2° |
| S45 | C45 | C35 | H45 | 118.9° | 120.1° |
| S45 | C45 | C55 | O55 | 158.1° | 177.5° |
| S45 | C45 | C55 | H55 | 38.1° | 57.5° |
| S45 | C45 | C55 | H55A | 85.3° | 62.5° |
| S45 | C45 | C35 | C25 | 163.7° | 176.9° |
| S45 | C45 | C35 | O35 | 73.2° | 63.2° |
| S45 | C45 | C35 | H35 | 44.1° | 57.0° |
| C55 | C45 | C35 | H45 | 118.4° | 120.0° |
| C45 | C55 | O55 | H55 | 120.0° | 120.0° |
| C45 | C55 | O55 | H55A | 116.7° | 120.0° |
| C45 | C55 | H55 | H55A | 117.0° | 120.0° |
| C45 | C55 | O55 | C15 | 45.8° | 61.2° |
| C55 | C45 | C35 | C25 | 41.0° | 57.0° |
| C55 | C45 | C35 | O35 | 164.0° | 176.9° |
| C55 | C45 | C35 | H35 | 78.6° | 62.9° |
| C35 | C45 | C55 | O55 | 32.9° | 57.6° |
| C35 | C45 | C55 | H55 | 87.1° | 62.4° |
| C35 | C45 | C55 | H55A | 149.5° | 177.6° |
| C45 | C35 | C25 | C15 | 61.3° | 57.0° |
| C45 | C35 | C25 | O25 | 176.7° | 176.9° |
| C45 | C35 | C25 | O35 | 125.1° | 119.9° |
| C45 | C35 | C25 | H35 | 117.3° | 119.8° |
| C45 | C35 | C25 | H25 | 58.8° | 63.0° |
| C45 | C35 | O35 | H35 | 117.0° | 120.2° |
| C45 | C35 | O35 | HO35 | 118.2° | 180.0° |
| H45 | C45 | C55 | O55 | 82.7° | 62.3° |
| H45 | C45 | C55 | H55 | 157.3° | 177.7° |
| H45 | C45 | C55 | H55A | 33.9° | 57.7° |
| H45 | C45 | C35 | C25 | 77.4° | 63.0° |
| H45 | C45 | C35 | O35 | 45.7° | 56.9° |
| H45 | C45 | C35 | H35 | 163.0° | 177.1° |
| O55 | C55 | H55 | H55A | 117.0° | 120.0° |
| C55 | O55 | C15 | O15 | 171.3° | 178.9° |
| C55 | O55 | C15 | C25 | 64.5° | 61.2° |
| C55 | O55 | C15 | H15 | 55.9° | 58.8° |
| H55 | C55 | O55 | C15 | 74.2° | 58.8° |
| H55A | C55 | O55 | C15 | 162.5° | 178.8° |
| O55 | C15 | O15 | C25 | 119.6° | 119.9° |
| O55 | C15 | O15 | H15 | 120.4° | 120.1° |
| O55 | C15 | C25 | H15 | 120.8° | 120.1° |
| O55 | C15 | O15 | HO15 | 62.9° | 60.0° |
| O55 | C15 | C25 | O25 | 166.1° | 177.5° |
| O55 | C15 | C25 | C35 | 72.7° | 57.6° |
| O55 | C15 | C25 | H25 | 48.2° | 62.3° |
| O15 | C15 | C25 | H15 | 115.4° | 120.0° |
| O15 | C15 | C25 | O25 | 42.2° | 62.5° |
| O15 | C15 | C25 | C35 | 163.5° | 177.6° |
| O15 | C15 | C25 | H25 | 75.6° | 57.6° |
| C25 | C15 | O15 | HO15 | 177.5° | 179.9° |
| C15 | C25 | O25 | C35 | 119.0° | 119.7° |
| C15 | C25 | O25 | H25 | 120.1° | 120.1° |
| C15 | C25 | C35 | H25 | 120.1° | 119.9° |
| C15 | C25 | O25 | HO25 | 3.4° | 60.0° |
| C15 | C25 | C35 | O35 | 173.6° | 176.8° |
| C15 | C25 | C35 | H35 | 56.0° | 62.9° |
| H15 | C15 | O15 | HO15 | 57.5° | 60.1° |
| H15 | C15 | C25 | O25 | 73.2° | 57.5° |
| H15 | C15 | C25 | C35 | 48.1° | 62.4° |
| H15 | C15 | C25 | H25 | 169.0° | 177.6° |
| O25 | C25 | C35 | H25 | 117.9° | 120.1° |
| O25 | C25 | C35 | O35 | 51.6° | 63.2° |
| O25 | C25 | C35 | H35 | 66.0° | 57.1° |
| C35 | C25 | O25 | HO25 | 122.4° | 179.7° |
| C25 | C35 | O35 | H35 | 119.6° | 120.3° |
| C25 | C35 | O35 | HO35 | 5.2° | 60.4° |
| H25 | C25 | O25 | HO25 | 116.7° | 60.2° |
| H25 | C25 | C35 | O35 | 66.3° | 56.9° |
| H25 | C25 | C35 | H35 | 176.1° | 177.2° |
| H35 | C35 | O35 | HO35 | 124.8° | 59.8° |
