PRD_900103
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 | |
| C31 | O31 | sing | 1.43Å | 1.43Å | |
| C31 | C41 | sing | 1.53Å | 1.53Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| C51 | C41 | sing | 1.53Å | 1.53Å | |
| 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 | 1.46Å | |
| 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 | 1.54Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C22 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | O32 | sing | 1.43Å | 1.42Å | |
| 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 | 1.44Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| O52 | C52 | sing | 1.43Å | 1.46Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C12 | O52 | sing | 1.43Å | 1.42Å | |
| S43 | C12 | sing | 1.81Å | 1.80Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C43 | S43 | sing | 1.81Å | 1.83Å | |
| C53 | C43 | sing | 1.53Å | 1.53Å | |
| C33 | C43 | sing | 1.53Å | 1.54Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | O33 | sing | 1.43Å | 1.43Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C13 | C23 | sing | 1.53Å | 1.53Å | |
| O23 | C23 | sing | 1.43Å | 1.42Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| O53 | C53 | sing | 1.43Å | 1.45Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C53 | H53A | sing | 1.09Å | 1.10Å | |
| C13 | O53 | sing | 1.43Å | 1.43Å | |
| S13 | C13 | sing | 1.81Å | 1.82Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C44 | S13 | sing | 1.81Å | 1.83Å | |
| C54 | C44 | sing | 1.53Å | 1.54Å | |
| C34 | C44 | sing | 1.53Å | 1.55Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| O54 | C54 | sing | 1.43Å | 1.47Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H54A | sing | 1.09Å | 1.10Å | |
| C14 | O54 | sing | 1.43Å | 1.47Å | |
| O14 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C24 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| O24 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | C34 | sing | 1.53Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| C34 | O34 | sing | 1.43Å | 1.43Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| O34 | HO34 | 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 | 108.2° | 109.6° |
| O21 | C21 | C31 | 109.0° | 109.5° |
| O21 | C21 | H21 | 111.4° | 109.5° |
| C11 | C21 | C31 | 111.6° | 109.2° |
| C11 | C21 | H21 | 108.8° | 109.5° |
| C21 | C11 | O51 | 114.3° | 109.4° |
| C21 | C11 | S42 | 110.5° | 109.5° |
| C21 | C11 | H11 | 104.5° | 109.5° |
| C31 | C21 | H21 | 108.0° | 109.6° |
| C21 | C31 | O31 | 109.9° | 109.5° |
| C21 | C31 | C41 | 112.5° | 109.0° |
| C21 | C31 | H31 | 106.8° | 109.5° |
| O31 | C31 | C41 | 108.6° | 109.5° |
| O31 | C31 | H31 | 110.8° | 109.6° |
| C31 | O31 | HO31 | 109.5° | 113.9° |
| C41 | C31 | H31 | 108.2° | 109.7° |
| C31 | C41 | C51 | 111.0° | 109.1° |
| C31 | C41 | O41 | 108.7° | 109.5° |
| C31 | C41 | H41 | 108.8° | 109.5° |
| C51 | C41 | O41 | 109.0° | 109.6° |
| C51 | C41 | H41 | 108.5° | 109.6° |
| C41 | C51 | O51 | 107.0° | 109.4° |
| C41 | C51 | H51 | 110.3° | 109.5° |
| C41 | C51 | H51A | 110.9° | 109.4° |
| O41 | C41 | H41 | 110.8° | 109.5° |
| C41 | O41 | HO41 | 109.5° | 114.0° |
| O51 | C51 | H51 | 110.3° | 109.5° |
| O51 | C51 | H51A | 110.9° | 109.5° |
| C51 | O51 | C11 | 113.3° | 114.1° |
| H51 | C51 | H51A | 107.5° | 109.5° |
| O51 | C11 | S42 | 106.9° | 109.5° |
| O51 | C11 | H11 | 108.4° | 109.5° |
| S42 | C11 | H11 | 112.3° | 109.4° |
| C11 | S42 | C42 | 95.1° | 103.0° |
| S42 | C42 | C52 | 111.1° | 109.5° |
| S42 | C42 | C32 | 112.6° | 109.5° |
| S42 | C42 | H42 | 106.7° | 109.5° |
| C52 | C42 | C32 | 111.3° | 109.1° |
| C52 | C42 | H42 | 108.2° | 109.6° |
| C42 | C52 | O52 | 108.8° | 109.4° |
| C42 | C52 | H52 | 109.7° | 109.5° |
| C42 | C52 | H52A | 109.8° | 109.5° |
| C32 | C42 | H42 | 106.6° | 109.5° |
| C42 | C32 | C22 | 109.6° | 109.1° |
| C42 | C32 | O32 | 110.6° | 109.5° |
| C42 | C32 | H32 | 108.6° | 109.6° |
| C22 | C32 | O32 | 109.2° | 109.5° |
| C22 | C32 | H32 | 109.9° | 109.6° |
| C32 | C22 | C12 | 105.7° | 109.1° |
| C32 | C22 | O22 | 111.5° | 109.6° |
| C32 | C22 | H22 | 110.7° | 109.6° |
| O32 | C32 | H32 | 108.9° | 109.5° |
| C32 | O32 | HO32 | 109.5° | 114.0° |
| C12 | C22 | O22 | 109.5° | 109.5° |
| C12 | C22 | H22 | 112.6° | 109.5° |
| C22 | C12 | O52 | 108.2° | 109.4° |
| C22 | C12 | S43 | 108.6° | 109.4° |
| C22 | C12 | H12 | 109.3° | 109.5° |
| O22 | C22 | H22 | 107.0° | 109.5° |
| C22 | O22 | HO22 | 109.5° | 114.1° |
| O52 | C52 | H52 | 109.7° | 109.5° |
| O52 | C52 | H52A | 109.9° | 109.5° |
| C52 | O52 | C12 | 105.3° | 114.1° |
| H52 | C52 | H52A | 108.9° | 109.5° |
| O52 | C12 | S43 | 104.4° | 109.5° |
| O52 | C12 | H12 | 113.2° | 109.5° |
| S43 | C12 | H12 | 112.9° | 109.5° |
| C12 | S43 | C43 | 101.7° | 103.0° |
| S43 | C43 | C53 | 106.2° | 109.5° |
| S43 | C43 | C33 | 112.4° | 109.5° |
| S43 | C43 | H43 | 110.3° | 109.5° |
| C53 | C43 | C33 | 111.1° | 109.2° |
| C53 | C43 | H43 | 111.6° | 109.5° |
| C43 | C53 | O53 | 115.8° | 109.4° |
| C43 | C53 | H53 | 107.4° | 109.4° |
| C43 | C53 | H53A | 106.0° | 109.5° |
| C33 | C43 | H43 | 105.4° | 109.5° |
| C43 | C33 | C23 | 110.3° | 109.0° |
| C43 | C33 | O33 | 111.0° | 109.5° |
| C43 | C33 | H33 | 107.5° | 109.5° |
| C23 | C33 | O33 | 108.2° | 109.5° |
| C23 | C33 | H33 | 110.3° | 109.6° |
| C33 | C23 | C13 | 111.2° | 109.1° |
| C33 | C23 | O23 | 111.0° | 109.5° |
| C33 | C23 | H23 | 107.3° | 109.5° |
| O33 | C33 | H33 | 109.6° | 109.6° |
| C33 | O33 | HO33 | 109.5° | 114.0° |
| C13 | C23 | O23 | 109.7° | 109.6° |
| C13 | C23 | H23 | 108.7° | 109.6° |
| C23 | C13 | O53 | 107.6° | 109.4° |
| C23 | C13 | S13 | 112.6° | 109.5° |
| C23 | C13 | H13 | 107.7° | 109.5° |
| O23 | C23 | H23 | 108.8° | 109.6° |
| C23 | O23 | HO23 | 109.5° | 113.9° |
| O53 | C53 | H53 | 107.4° | 109.5° |
| O53 | C53 | H53A | 106.0° | 109.5° |
| C53 | O53 | C13 | 110.0° | 114.1° |
| H53 | C53 | H53A | 114.6° | 109.5° |
| O53 | C13 | S13 | 106.3° | 109.4° |
| O53 | C13 | H13 | 113.8° | 109.5° |
| S13 | C13 | H13 | 108.9° | 109.5° |
| C13 | S13 | C44 | 103.9° | 103.0° |
| S13 | C44 | C54 | 108.6° | 109.5° |
| S13 | C44 | C34 | 111.1° | 109.5° |
| S13 | C44 | H44 | 110.3° | 109.5° |
| C54 | C44 | C34 | 113.1° | 109.2° |
| C54 | C44 | H44 | 108.2° | 109.5° |
| C44 | C54 | O54 | 114.4° | 109.4° |
| C44 | C54 | H54 | 107.9° | 109.5° |
| C44 | C54 | H54A | 106.7° | 109.5° |
| C34 | C44 | H44 | 105.5° | 109.5° |
| C44 | C34 | C24 | 109.7° | 109.0° |
| C44 | C34 | O34 | 111.9° | 109.6° |
| C44 | C34 | H34 | 107.5° | 109.5° |
| O54 | C54 | H54 | 107.9° | 109.5° |
| O54 | C54 | H54A | 106.8° | 109.5° |
| C54 | O54 | C14 | 107.4° | 114.1° |
| H54 | C54 | H54A | 113.4° | 109.5° |
| O54 | C14 | O14 | 117.3° | 109.5° |
| O54 | C14 | C24 | 102.6° | 109.4° |
| O54 | C14 | H14 | 111.2° | 109.5° |
| O14 | C14 | C24 | 115.1° | 109.4° |
| O14 | C14 | H14 | 97.6° | 109.5° |
| C14 | O14 | HO14 | 109.5° | 114.0° |
| C24 | C14 | H14 | 113.6° | 109.5° |
| C14 | C24 | O24 | 112.8° | 109.5° |
| C14 | C24 | C34 | 104.9° | 109.2° |
| C14 | C24 | H24 | 110.7° | 109.5° |
| O24 | C24 | C34 | 110.5° | 109.5° |
| O24 | C24 | H24 | 105.1° | 109.5° |
| C24 | O24 | HO24 | 109.5° | 114.0° |
| C34 | C24 | H24 | 113.0° | 109.5° |
| C24 | C34 | O34 | 109.2° | 109.5° |
| C24 | C34 | H34 | 110.3° | 109.6° |
| O34 | C34 | H34 | 108.1° | 109.6° |
| C34 | O34 | HO34 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C21 | C11 | C31 | 119.9° | 119.9° |
| O21 | C21 | C11 | H21 | 121.1° | 120.1° |
| O21 | C21 | C31 | H21 | 121.1° | 120.2° |
| O21 | C21 | C31 | O31 | 77.1° | 63.3° |
| O21 | C21 | C31 | C41 | 161.8° | 176.9° |
| O21 | C21 | C31 | H31 | 43.2° | 56.9° |
| O21 | C21 | C11 | O51 | 163.2° | 177.5° |
| O21 | C21 | C11 | S42 | 76.2° | 62.5° |
| O21 | C21 | C11 | H11 | 44.8° | 57.5° |
| HO21 | O21 | C21 | C11 | 97.1° | 60.0° |
| HO21 | O21 | C21 | C31 | 24.4° | 179.7° |
| HO21 | O21 | C21 | H21 | 143.4° | 60.1° |
| C11 | C21 | C31 | H21 | 119.5° | 119.9° |
| C11 | C21 | C31 | O31 | 163.5° | 176.8° |
| C11 | C21 | C31 | C41 | 42.4° | 57.0° |
| C11 | C21 | C31 | H31 | 76.2° | 63.0° |
| C21 | C11 | O51 | C51 | 56.0° | 61.1° |
| C21 | C11 | O51 | S42 | 122.6° | 120.0° |
| C21 | C11 | O51 | H11 | 116.1° | 120.0° |
| C21 | C11 | S42 | H11 | 116.3° | 120.0° |
| C21 | C11 | S42 | C42 | 149.5° | 175.0° |
| C21 | C31 | O31 | C41 | 123.5° | 119.5° |
| C21 | C31 | O31 | H31 | 117.8° | 120.2° |
| C21 | C31 | C41 | H31 | 117.8° | 119.9° |
| C21 | C31 | O31 | HO31 | 152.6° | 180.0° |
| C21 | C31 | C41 | C51 | 52.9° | 57.0° |
| C21 | C31 | C41 | O41 | 172.8° | 176.9° |
| C21 | C31 | C41 | H41 | 66.5° | 63.0° |
| C31 | C21 | C11 | O51 | 43.3° | 57.6° |
| C31 | C21 | C11 | S42 | 163.9° | 177.6° |
| C31 | C21 | C11 | H11 | 75.0° | 62.5° |
| H21 | C21 | C31 | O31 | 44.0° | 56.9° |
| H21 | C21 | C31 | C41 | 77.1° | 62.9° |
| H21 | C21 | C31 | H31 | 164.3° | 177.1° |
| H21 | C21 | C11 | O51 | 75.7° | 62.3° |
| H21 | C21 | C11 | S42 | 44.9° | 57.7° |
| H21 | C21 | C11 | H11 | 165.9° | 177.6° |
| O31 | C31 | C41 | H31 | 120.3° | 120.3° |
| O31 | C31 | C41 | C51 | 174.8° | 176.8° |
| O31 | C31 | C41 | O41 | 65.3° | 63.3° |
| O31 | C31 | C41 | H41 | 55.4° | 56.8° |
| C41 | C31 | O31 | HO31 | 29.2° | 60.5° |
| C31 | C41 | C51 | O41 | 119.7° | 119.9° |
| C31 | C41 | C51 | H41 | 119.5° | 119.9° |
| C31 | C41 | O41 | H41 | 119.5° | 120.1° |
| C31 | C41 | O41 | HO41 | 150.9° | 180.0° |
| C31 | C41 | C51 | O51 | 61.7° | 57.6° |
| C31 | C41 | C51 | H51 | 58.3° | 62.4° |
| C31 | C41 | C51 | H51A | 177.3° | 177.6° |
| H31 | C31 | O31 | HO31 | 89.5° | 59.9° |
| H31 | C31 | C41 | C51 | 64.9° | 62.9° |
| H31 | C31 | C41 | O41 | 55.0° | 57.0° |
| H31 | C31 | C41 | H41 | 175.8° | 177.1° |
| C51 | C41 | O41 | H41 | 119.4° | 120.3° |
| C51 | C41 | O41 | HO41 | 88.0° | 60.3° |
| C41 | C51 | O51 | H51 | 120.0° | 120.0° |
| C41 | C51 | O51 | H51A | 121.0° | 120.0° |
| C41 | C51 | H51 | H51A | 121.0° | 120.0° |
| C41 | C51 | O51 | C11 | 63.5° | 61.2° |
| O41 | C41 | C51 | O51 | 178.6° | 177.5° |
| O41 | C41 | C51 | H51 | 61.4° | 57.5° |
| O41 | C41 | C51 | H51A | 57.6° | 62.5° |
| H41 | C41 | O41 | HO41 | 31.4° | 59.9° |
| H41 | C41 | C51 | O51 | 57.8° | 62.3° |
| H41 | C41 | C51 | H51 | 177.8° | 177.7° |
| H41 | C41 | C51 | H51A | 63.1° | 57.7° |
| O51 | C51 | H51 | H51A | 121.0° | 120.0° |
| C51 | O51 | C11 | S42 | 178.7° | 178.9° |
| C51 | O51 | C11 | H11 | 60.1° | 58.9° |
| H51 | C51 | O51 | C11 | 56.5° | 58.9° |
| H51A | C51 | O51 | C11 | 175.5° | 178.9° |
| O51 | C11 | S42 | H11 | 118.7° | 120.1° |
| O51 | C11 | S42 | C42 | 85.5° | 65.1° |
| C11 | S42 | C42 | C52 | 106.5° | 65.3° |
| C11 | S42 | C42 | C32 | 127.8° | 175.0° |
| C11 | S42 | C42 | H42 | 11.2° | 54.9° |
| H11 | C11 | S42 | C42 | 33.2° | 55.0° |
| S42 | C42 | C52 | C32 | 126.4° | 119.9° |
| S42 | C42 | C52 | H42 | 116.9° | 120.1° |
| S42 | C42 | C32 | H42 | 116.7° | 120.1° |
| S42 | C42 | C32 | C22 | 175.1° | 176.9° |
| S42 | C42 | C32 | O32 | 64.4° | 63.3° |
| S42 | C42 | C32 | H32 | 55.0° | 56.9° |
| S42 | C42 | C52 | O52 | 179.3° | 177.5° |
| S42 | C42 | C52 | H52 | 60.7° | 57.6° |
| S42 | C42 | C52 | H52A | 59.0° | 62.5° |
| C52 | C42 | C32 | H42 | 117.7° | 120.0° |
| C52 | C42 | C32 | C22 | 49.5° | 57.0° |
| C52 | C42 | C32 | O32 | 170.0° | 176.8° |
| C52 | C42 | C32 | H32 | 70.5° | 63.0° |
| C42 | C52 | O52 | H52 | 120.0° | 120.0° |
| C42 | C52 | O52 | H52A | 120.3° | 120.0° |
| C42 | C52 | H52 | H52A | 120.3° | 120.0° |
| C42 | C52 | O52 | C12 | 66.2° | 61.1° |
| C42 | C32 | C22 | O32 | 121.3° | 119.8° |
| C42 | C32 | C22 | H32 | 119.3° | 120.0° |
| C42 | C32 | O32 | H32 | 119.2° | 120.2° |
| C42 | C32 | O32 | HO32 | 132.3° | 180.0° |
| C42 | C32 | C22 | C12 | 55.0° | 57.0° |
| C42 | C32 | C22 | O22 | 173.9° | 176.9° |
| C42 | C32 | C22 | H22 | 67.2° | 62.8° |
| C32 | C42 | C52 | O52 | 54.3° | 57.6° |
| C32 | C42 | C52 | H52 | 65.7° | 62.4° |
| C32 | C42 | C52 | H52A | 174.6° | 177.6° |
| H42 | C42 | C32 | C22 | 68.2° | 62.9° |
| H42 | C42 | C32 | O32 | 52.3° | 56.9° |
| H42 | C42 | C32 | H32 | 171.7° | 177.0° |
| H42 | C42 | C52 | O52 | 62.5° | 62.3° |
| H42 | C42 | C52 | H52 | 177.5° | 177.7° |
| H42 | C42 | C52 | H52A | 57.8° | 57.7° |
| C22 | C32 | O32 | H32 | 120.0° | 120.3° |
| C22 | C32 | O32 | HO32 | 107.0° | 60.4° |
| C32 | C22 | C12 | O22 | 120.2° | 120.0° |
| C32 | C22 | C12 | H22 | 121.0° | 119.9° |
| C32 | C22 | O22 | H22 | 121.1° | 120.2° |
| C32 | C22 | O22 | HO22 | 100.8° | 180.0° |
| C32 | C22 | C12 | O52 | 70.3° | 57.6° |
| C32 | C22 | C12 | S43 | 176.9° | 177.6° |
| C32 | C22 | C12 | H12 | 53.4° | 62.4° |
| O32 | C32 | C22 | C12 | 176.3° | 176.9° |
| O32 | C32 | C22 | O22 | 64.8° | 63.2° |
| O32 | C32 | C22 | H22 | 54.1° | 57.0° |
| H32 | C32 | O32 | HO32 | 13.0° | 59.8° |
| H32 | C32 | C22 | C12 | 64.2° | 63.0° |
| H32 | C32 | C22 | O22 | 54.7° | 57.0° |
| H32 | C32 | C22 | H22 | 173.6° | 177.2° |
| C12 | C22 | O22 | H22 | 122.3° | 120.1° |
| C12 | C22 | O22 | HO22 | 15.8° | 60.3° |
| C22 | C12 | O52 | C52 | 76.1° | 61.2° |
| C22 | C12 | O52 | S43 | 115.5° | 119.9° |
| C22 | C12 | O52 | H12 | 121.3° | 120.0° |
| C22 | C12 | S43 | H12 | 121.4° | 120.0° |
| C22 | C12 | S43 | C43 | 161.7° | 175.0° |
| O22 | C22 | C12 | O52 | 169.5° | 177.6° |
| O22 | C22 | C12 | S43 | 56.8° | 62.5° |
| O22 | C22 | C12 | H12 | 66.8° | 57.6° |
| H22 | C22 | O22 | HO22 | 138.0° | 59.8° |
| H22 | C22 | C12 | O52 | 50.6° | 62.3° |
| H22 | C22 | C12 | S43 | 62.1° | 57.7° |
| H22 | C22 | C12 | H12 | 174.4° | 177.7° |
| O52 | C52 | H52 | H52A | 120.3° | 120.0° |
| C52 | O52 | C12 | S43 | 168.3° | 178.9° |
| C52 | O52 | C12 | H12 | 45.2° | 58.8° |
| H52 | C52 | O52 | C12 | 53.8° | 58.9° |
| H52A | C52 | O52 | C12 | 173.5° | 178.9° |
| O52 | C12 | S43 | H12 | 123.3° | 120.0° |
| O52 | C12 | S43 | C43 | 83.1° | 65.1° |
| C12 | S43 | C43 | C53 | 144.2° | 65.1° |
| C12 | S43 | C43 | C33 | 94.2° | 175.1° |
| C12 | S43 | C43 | H43 | 23.1° | 55.0° |
| H12 | C12 | S43 | C43 | 40.3° | 55.0° |
| S43 | C43 | C53 | C33 | 122.5° | 120.0° |
| S43 | C43 | C53 | H43 | 120.3° | 120.1° |
| S43 | C43 | C33 | H43 | 120.2° | 120.1° |
| S43 | C43 | C33 | C23 | 161.8° | 176.9° |
| S43 | C43 | C33 | O33 | 78.3° | 63.2° |
| S43 | C43 | C33 | H33 | 41.5° | 56.9° |
| S43 | C43 | C53 | O53 | 168.8° | 177.5° |
| S43 | C43 | C53 | H53 | 48.8° | 57.5° |
| S43 | C43 | C53 | H53A | 74.1° | 62.5° |
| C53 | C43 | C33 | H43 | 121.0° | 119.9° |
| C53 | C43 | C33 | C23 | 43.0° | 57.0° |
| C53 | C43 | C33 | O33 | 162.9° | 176.8° |
| C53 | C43 | C33 | H33 | 77.3° | 63.0° |
| C43 | C53 | O53 | H53 | 120.0° | 119.9° |
| C43 | C53 | O53 | H53A | 117.1° | 120.0° |
| C43 | C53 | H53 | H53A | 117.4° | 120.0° |
| C43 | C53 | O53 | C13 | 58.2° | 61.1° |
| C43 | C33 | C23 | O33 | 121.6° | 119.8° |
| C43 | C33 | C23 | H33 | 118.6° | 119.9° |
| C43 | C33 | O33 | H33 | 118.5° | 120.2° |
| C43 | C33 | O33 | HO33 | 73.7° | 179.9° |
| C43 | C33 | C23 | C13 | 53.4° | 57.0° |
| C43 | C33 | C23 | O23 | 175.9° | 176.9° |
| C43 | C33 | C23 | H23 | 65.3° | 62.9° |
| C33 | C43 | C53 | O53 | 46.3° | 57.6° |
| C33 | C43 | C53 | H53 | 73.7° | 62.4° |
| C33 | C43 | C53 | H53A | 163.4° | 177.6° |
| H43 | C43 | C33 | C23 | 78.0° | 63.0° |
| H43 | C43 | C33 | O33 | 41.9° | 56.9° |
| H43 | C43 | C33 | H33 | 161.7° | 177.0° |
| H43 | C43 | C53 | O53 | 71.0° | 62.4° |
| H43 | C43 | C53 | H53 | 169.1° | 177.6° |
| H43 | C43 | C53 | H53A | 46.2° | 57.6° |
| C23 | C33 | O33 | H33 | 120.3° | 120.3° |
| C23 | C33 | O33 | HO33 | 165.1° | 60.5° |
| C33 | C23 | C13 | O23 | 123.2° | 119.9° |
| C33 | C23 | C13 | H23 | 117.9° | 119.9° |
| C33 | C23 | O23 | H23 | 117.9° | 120.1° |
| C33 | C23 | O23 | HO23 | 18.1° | 180.0° |
| C33 | C23 | C13 | O53 | 64.6° | 57.7° |
| C33 | C23 | C13 | S13 | 178.6° | 177.6° |
| C33 | C23 | C13 | H13 | 58.5° | 62.3° |
| O33 | C33 | C23 | C13 | 175.0° | 176.8° |
| O33 | C33 | C23 | O23 | 62.6° | 63.2° |
| O33 | C33 | C23 | H23 | 56.2° | 56.9° |
| H33 | C33 | O33 | HO33 | 44.8° | 59.8° |
| H33 | C33 | C23 | C13 | 65.2° | 62.9° |
| H33 | C33 | C23 | O23 | 57.3° | 57.0° |
| H33 | C33 | C23 | H23 | 176.1° | 177.2° |
| C13 | C23 | O23 | H23 | 118.8° | 120.2° |
| C13 | C23 | O23 | HO23 | 105.3° | 60.4° |
| C23 | C13 | O53 | C53 | 64.8° | 61.2° |
| C23 | C13 | O53 | S13 | 120.9° | 120.0° |
| C23 | C13 | O53 | H13 | 119.2° | 120.1° |
| C23 | C13 | S13 | H13 | 119.3° | 120.1° |
| C23 | C13 | S13 | C44 | 60.9° | 175.0° |
| O23 | C23 | C13 | O53 | 172.2° | 177.6° |
| O23 | C23 | C13 | S13 | 55.4° | 62.5° |
| O23 | C23 | C13 | H13 | 64.7° | 57.5° |
| H23 | C23 | O23 | HO23 | 136.0° | 59.8° |
| H23 | C23 | C13 | O53 | 53.4° | 62.2° |
| H23 | C23 | C13 | S13 | 63.5° | 57.7° |
| H23 | C23 | C13 | H13 | 176.4° | 177.8° |
| O53 | C53 | H53 | H53A | 117.4° | 120.1° |
| C53 | O53 | C13 | S13 | 174.3° | 178.8° |
| C53 | O53 | C13 | H13 | 54.4° | 58.8° |
| H53 | C53 | O53 | C13 | 61.8° | 58.8° |
| H53A | C53 | O53 | C13 | 175.3° | 178.9° |
| O53 | C13 | S13 | H13 | 123.0° | 120.0° |
| O53 | C13 | S13 | C44 | 56.8° | 65.0° |
| C13 | S13 | C44 | C54 | 123.8° | 65.1° |
| C13 | S13 | C44 | C34 | 111.3° | 175.1° |
| C13 | S13 | C44 | H44 | 5.4° | 55.0° |
| H13 | C13 | S13 | C44 | 179.8° | 55.0° |
| S13 | C44 | C54 | C34 | 123.8° | 119.9° |
| S13 | C44 | C54 | H44 | 119.7° | 120.1° |
| S13 | C44 | C34 | H44 | 119.6° | 120.2° |
| S13 | C44 | C54 | O54 | 162.0° | 177.5° |
| S13 | C44 | C54 | H54 | 42.0° | 57.5° |
| S13 | C44 | C54 | H54A | 80.2° | 62.5° |
| S13 | C44 | C34 | C24 | 163.5° | 176.8° |
| S13 | C44 | C34 | O34 | 75.1° | 63.3° |
| S13 | C44 | C34 | H34 | 43.5° | 57.0° |
| C54 | C44 | C34 | H44 | 118.1° | 119.9° |
| C44 | C54 | O54 | H54 | 120.0° | 120.0° |
| C44 | C54 | O54 | H54A | 117.8° | 120.0° |
| C44 | C54 | H54 | H54A | 118.0° | 120.0° |
| C44 | C54 | O54 | C14 | 55.4° | 61.2° |
| C54 | C44 | C34 | C24 | 41.1° | 56.9° |
| C54 | C44 | C34 | O34 | 162.6° | 176.8° |
| C54 | C44 | C34 | H34 | 78.9° | 63.0° |
| C34 | C44 | C54 | O54 | 38.2° | 57.6° |
| C34 | C44 | C54 | H54 | 81.8° | 62.4° |
| C34 | C44 | C54 | H54A | 156.0° | 177.6° |
| C44 | C34 | C24 | C14 | 61.0° | 56.9° |
| C44 | C34 | C24 | O24 | 177.2° | 176.8° |
| C44 | C34 | C24 | O34 | 123.0° | 119.9° |
| C44 | C34 | C24 | H34 | 118.3° | 119.8° |
| C44 | C34 | C24 | H24 | 59.7° | 63.0° |
| C44 | C34 | O34 | H34 | 118.2° | 120.2° |
| C44 | C34 | O34 | HO34 | 28.3° | 179.6° |
| H44 | C44 | C54 | O54 | 78.3° | 62.4° |
| H44 | C44 | C54 | H54 | 161.7° | 177.6° |
| H44 | C44 | C54 | H54A | 39.5° | 57.6° |
| H44 | C44 | C34 | C24 | 76.9° | 63.0° |
| H44 | C44 | C34 | O34 | 44.5° | 56.9° |
| H44 | C44 | C34 | H34 | 163.1° | 177.1° |
| O54 | C54 | H54 | H54A | 118.0° | 120.1° |
| C54 | O54 | C14 | O14 | 158.1° | 178.9° |
| C54 | O54 | C14 | C24 | 74.7° | 61.2° |
| C54 | O54 | C14 | H14 | 47.1° | 58.8° |
| H54 | C54 | O54 | C14 | 64.6° | 58.8° |
| H54A | C54 | O54 | C14 | 173.2° | 178.9° |
| O54 | C14 | O14 | C24 | 120.9° | 119.9° |
| O54 | C14 | O14 | H14 | 118.6° | 120.1° |
| O54 | C14 | C24 | H14 | 120.1° | 120.0° |
| O54 | C14 | O14 | HO14 | 110.0° | 60.0° |
| O54 | C14 | C24 | O24 | 161.1° | 177.5° |
| O54 | C14 | C24 | C34 | 78.6° | 57.6° |
| O54 | C14 | C24 | H24 | 43.6° | 62.3° |
| O14 | C14 | C24 | H14 | 111.3° | 120.1° |
| O14 | C14 | C24 | O24 | 32.5° | 62.5° |
| O14 | C14 | C24 | C34 | 152.8° | 177.6° |
| O14 | C14 | C24 | H24 | 85.0° | 57.6° |
| C24 | C14 | O14 | HO14 | 10.9° | 179.9° |
| C14 | C24 | O24 | C34 | 117.1° | 119.7° |
| C14 | C24 | O24 | H24 | 120.7° | 120.2° |
| C14 | C24 | C34 | H24 | 120.7° | 120.0° |
| C14 | C24 | O24 | HO24 | 177.0° | 60.0° |
| C14 | C24 | C34 | O34 | 176.0° | 176.9° |
| C14 | C24 | C34 | H34 | 57.4° | 62.9° |
| H14 | C14 | O14 | HO14 | 131.4° | 60.1° |
| H14 | C14 | C24 | O24 | 78.8° | 57.5° |
| H14 | C14 | C24 | C34 | 41.5° | 62.4° |
| H14 | C14 | C24 | H24 | 163.7° | 177.7° |
| O24 | C24 | C34 | H24 | 117.5° | 120.1° |
| O24 | C24 | C34 | O34 | 54.2° | 63.2° |
| O24 | C24 | C34 | H34 | 64.5° | 57.0° |
| C34 | C24 | O24 | HO24 | 65.9° | 179.7° |
| C24 | C34 | O34 | H34 | 120.1° | 120.3° |
| C24 | C34 | O34 | HO34 | 150.0° | 60.0° |
| H24 | C24 | O24 | HO24 | 56.3° | 60.1° |
| H24 | C24 | C34 | O34 | 63.3° | 56.9° |
| H24 | C24 | C34 | H34 | 178.0° | 177.2° |
| H34 | C34 | O34 | HO34 | 89.9° | 60.3° |
