O8S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F36 | C35 | sing | 1.40Å | 1.33Å | |
| F38 | C35 | sing | 1.40Å | 1.33Å | |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.51Å | 1.53Å | |
| C35 | F37 | sing | 1.40Å | 1.33Å | |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | N30 | sing | 1.40Å | 1.39Å | |
| C31 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| N30 | C29 | sing | 1.35Å | 1.37Å | |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C29 | O28 | sing | 1.35Å | 1.33Å | |
| C29 | O41 | doub | 1.22Å | 1.23Å | |
| O28 | C27 | sing | 1.45Å | 1.41Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C24 | O42 | sing | 1.45Å | 1.42Å | |
| O42 | C43 | sing | 1.34Å | 1.33Å | |
| C21 | C20 | doub | 1.33Å | 1.34Å | |
| C43 | C44 | sing | 1.51Å | 1.51Å | |
| C43 | O51 | doub | 1.21Å | 1.23Å | |
| C44 | C45 | sing | 1.54Å | 1.54Å | |
| C44 | N48 | sing | 1.46Å | 1.47Å | |
| C45 | C46 | sing | 1.54Å | 1.50Å | |
| C20 | C19 | sing | 1.47Å | 1.43Å | |
| O50 | C49 | doub | 1.22Å | 1.23Å | |
| C46 | C47 | sing | 1.53Å | 1.50Å | |
| N48 | C49 | sing | 1.33Å | 1.36Å | |
| N48 | C47 | sing | 1.47Å | 1.46Å | |
| C49 | C08 | sing | 1.46Å | 1.43Å | |
| C19 | N18 | sing | 1.36Å | 1.33Å | |
| C19 | O52 | doub | 1.22Å | 1.23Å | |
| N18 | C17 | sing | 1.48Å | 1.45Å | |
| C08 | C09 | doub | 1.35Å | 1.38Å | Aromatic |
| C08 | N07 | sing | 1.37Å | 1.32Å | Aromatic |
| C09 | O10 | sing | 1.35Å | 1.35Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | doub | 1.32Å | 1.34Å | |
| N07 | C06 | doub | 1.30Å | 1.30Å | Aromatic |
| O10 | C06 | sing | 1.34Å | 1.35Å | Aromatic |
| C15 | C13 | sing | 1.48Å | 1.45Å | |
| C06 | C05 | sing | 1.51Å | 1.50Å | |
| O11 | C04 | doub | 1.21Å | 1.23Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.33Å | 1.35Å | |
| C04 | C05 | sing | 1.51Å | 1.52Å | |
| C04 | C03 | sing | 1.50Å | 1.51Å | |
| C12 | C02 | sing | 1.51Å | 1.51Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F36 | C35 | F38 | 108.2° | 109.5° |
| F36 | C35 | C34 | 110.1° | 109.5° |
| F36 | C35 | F37 | 108.6° | 109.4° |
| F38 | C35 | C34 | 112.2° | 109.5° |
| F38 | C35 | F37 | 108.6° | 109.4° |
| C40 | C39 | C34 | 120.1° | 120.1° |
| C39 | C40 | C31 | 119.6° | 120.0° |
| C40 | C39 | H391 | 119.9° | 120.0° |
| C39 | C40 | H401 | 120.2° | 120.0° |
| C39 | C34 | C35 | 121.2° | 119.9° |
| C39 | C34 | C33 | 119.6° | 120.1° |
| C34 | C39 | H391 | 120.0° | 119.9° |
| C40 | C31 | N30 | 122.0° | 120.1° |
| C40 | C31 | C32 | 120.7° | 119.9° |
| C31 | C40 | H401 | 120.2° | 120.0° |
| C34 | C35 | F37 | 109.1° | 109.5° |
| C35 | C34 | C33 | 119.2° | 120.0° |
| C34 | C33 | C32 | 120.3° | 120.1° |
| C34 | C33 | H331 | 119.8° | 119.9° |
| N30 | C31 | C32 | 117.3° | 120.0° |
| C31 | N30 | C29 | 125.5° | 120.0° |
| C31 | N30 | H301 | 117.2° | 120.0° |
| C31 | C32 | C33 | 119.7° | 119.9° |
| C31 | C32 | H321 | 120.1° | 120.1° |
| N30 | C29 | O28 | 107.7° | 120.0° |
| N30 | C29 | O41 | 127.0° | 120.0° |
| C29 | N30 | H301 | 117.2° | 120.0° |
| C33 | C32 | H321 | 120.1° | 120.0° |
| C32 | C33 | H331 | 119.9° | 120.0° |
| C26 | C25 | C27 | 110.5° | 109.4° |
| C26 | C25 | C24 | 116.0° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.4° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C26 | C25 | H251 | 107.3° | 109.4° |
| O28 | C29 | O41 | 125.2° | 120.0° |
| C29 | O28 | C27 | 119.5° | 117.0° |
| O28 | C27 | C25 | 113.1° | 109.5° |
| O28 | C27 | H271 | 108.6° | 109.4° |
| O28 | C27 | H272 | 108.6° | 109.5° |
| C27 | C25 | C24 | 108.0° | 109.5° |
| C27 | C25 | H251 | 107.4° | 109.5° |
| C25 | C27 | H271 | 108.6° | 109.4° |
| C25 | C27 | H272 | 108.6° | 109.5° |
| C25 | C24 | C22 | 117.9° | 109.3° |
| C25 | C24 | O42 | 106.1° | 109.3° |
| C25 | C24 | H241 | 107.6° | 109.2° |
| C24 | C25 | H251 | 107.3° | 109.5° |
| C23 | C22 | C24 | 113.1° | 109.5° |
| C23 | C22 | C21 | 114.5° | 109.6° |
| C23 | C22 | H221 | 105.9° | 109.7° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C24 | C22 | C21 | 110.6° | 108.9° |
| C22 | C24 | O42 | 108.2° | 110.5° |
| C24 | C22 | H221 | 105.8° | 109.5° |
| C22 | C24 | H241 | 107.6° | 109.3° |
| C22 | C21 | C20 | 125.6° | 120.6° |
| C22 | C21 | H211 | 117.2° | 119.9° |
| C21 | C22 | H221 | 106.1° | 109.6° |
| C24 | O42 | C43 | 122.7° | 116.6° |
| O42 | C24 | H241 | 109.2° | 109.3° |
| O42 | C43 | C44 | 109.8° | 122.1° |
| O42 | C43 | O51 | 125.6° | 119.0° |
| C21 | C20 | C19 | 122.3° | 119.2° |
| C21 | C20 | H201 | 118.8° | 121.0° |
| C20 | C21 | H211 | 117.2° | 119.5° |
| C44 | C43 | O51 | 124.6° | 118.9° |
| C43 | C44 | C45 | 111.2° | 109.2° |
| C43 | C44 | N48 | 118.0° | 109.3° |
| C43 | C44 | H441 | 108.0° | 110.4° |
| C45 | C44 | N48 | 103.0° | 107.4° |
| C44 | C45 | C46 | 105.2° | 105.0° |
| C45 | C44 | H441 | 107.6° | 110.5° |
| C44 | C45 | H451 | 110.5° | 110.3° |
| C44 | C45 | H452 | 110.6° | 110.3° |
| C44 | N48 | C49 | 123.8° | 124.8° |
| C44 | N48 | C47 | 109.9° | 109.0° |
| N48 | C44 | H441 | 108.5° | 110.0° |
| C45 | C46 | C47 | 100.9° | 106.2° |
| C46 | C45 | H451 | 110.6° | 110.3° |
| C46 | C45 | H452 | 110.5° | 110.3° |
| C45 | C46 | H462 | 111.6° | 110.1° |
| C45 | C46 | H461 | 111.5° | 110.1° |
| C20 | C19 | N18 | 112.3° | 119.2° |
| C20 | C19 | O52 | 124.1° | 120.4° |
| C19 | C20 | H201 | 118.9° | 119.8° |
| O50 | C49 | N48 | 123.6° | 116.9° |
| O50 | C49 | C08 | 119.9° | 116.8° |
| C46 | C47 | N48 | 104.9° | 108.2° |
| C47 | C46 | H462 | 111.5° | 110.2° |
| C47 | C46 | H461 | 111.6° | 110.2° |
| C46 | C47 | H471 | 110.6° | 109.7° |
| C46 | C47 | H472 | 110.6° | 109.7° |
| C49 | N48 | C47 | 126.0° | 126.2° |
| N48 | C49 | C08 | 116.5° | 126.3° |
| N48 | C47 | H471 | 110.6° | 109.8° |
| N48 | C47 | H472 | 110.6° | 109.7° |
| C49 | C08 | C09 | 126.3° | 129.3° |
| C49 | C08 | N07 | 124.6° | 123.5° |
| N18 | C19 | O52 | 123.6° | 120.4° |
| C19 | N18 | C17 | 124.8° | 116.3° |
| C19 | N18 | H181 | 117.6° | 121.9° |
| N18 | C17 | C16 | 111.0° | 107.7° |
| N18 | C17 | H172 | 109.1° | 109.8° |
| N18 | C17 | H171 | 109.1° | 109.9° |
| C17 | N18 | H181 | 117.6° | 121.8° |
| C09 | C08 | N07 | 109.0° | 107.2° |
| C08 | C09 | O10 | 107.6° | 107.1° |
| C08 | C09 | H091 | 126.2° | 126.4° |
| C08 | N07 | C06 | 104.8° | 108.0° |
| C09 | O10 | C06 | 103.0° | 108.0° |
| O10 | C09 | H091 | 126.2° | 126.5° |
| C17 | C16 | C15 | 123.2° | 121.4° |
| C16 | C17 | H172 | 109.1° | 109.8° |
| C16 | C17 | H171 | 109.1° | 109.8° |
| C17 | C16 | H161 | 118.4° | 119.1° |
| C16 | C15 | C13 | 125.4° | 119.7° |
| C16 | C15 | H151 | 117.3° | 120.8° |
| C15 | C16 | H161 | 118.4° | 119.5° |
| N07 | C06 | O10 | 114.4° | 109.5° |
| N07 | C06 | C05 | 126.5° | 123.9° |
| O10 | C06 | C05 | 118.9° | 126.6° |
| C15 | C13 | C14 | 120.5° | 120.0° |
| C15 | C13 | C12 | 116.2° | 120.0° |
| C13 | C15 | H151 | 117.3° | 119.5° |
| C06 | C05 | C04 | 113.3° | 109.3° |
| C06 | C05 | H052 | 108.5° | 109.5° |
| C06 | C05 | H051 | 108.5° | 109.6° |
| O11 | C04 | C05 | 121.3° | 119.3° |
| O11 | C04 | C03 | 122.2° | 119.3° |
| C14 | C13 | C12 | 122.9° | 120.0° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| C13 | C12 | C02 | 128.7° | 120.3° |
| C13 | C12 | H122 | 115.6° | 119.7° |
| C05 | C04 | C03 | 116.6° | 121.4° |
| C04 | C05 | H052 | 108.5° | 109.5° |
| C04 | C05 | H051 | 108.5° | 109.4° |
| C04 | C03 | C02 | 114.2° | 110.4° |
| C04 | C03 | H031 | 108.3° | 109.2° |
| C04 | C03 | H032 | 108.3° | 109.2° |
| C12 | C02 | C03 | 113.5° | 110.2° |
| C12 | C02 | O01 | 105.7° | 109.3° |
| C12 | C02 | H021 | 110.2° | 109.3° |
| C02 | C12 | H122 | 115.7° | 120.0° |
| C03 | C02 | O01 | 105.2° | 109.4° |
| C03 | C02 | H021 | 110.1° | 109.4° |
| C02 | C03 | H031 | 108.3° | 109.3° |
| C02 | C03 | H032 | 108.3° | 109.4° |
| O01 | C02 | H021 | 112.0° | 109.2° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| H172 | C17 | H171 | 109.5° | 109.8° |
| H263 | C26 | H262 | 109.5° | 109.5° |
| H263 | C26 | H261 | 109.4° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H233 | 109.4° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| H451 | C45 | H452 | 109.5° | 110.5° |
| H462 | C46 | H461 | 109.5° | 110.1° |
| H471 | C47 | H472 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F36 | C35 | F38 | C34 | 121.7° | 120.0° |
| F36 | C35 | F38 | F37 | 117.7° | 119.9° |
| F36 | C35 | C34 | C39 | 132.5° | 150.0° |
| F36 | C35 | C34 | F37 | 119.1° | 120.0° |
| F36 | C35 | C34 | C33 | 47.2° | 30.0° |
| F38 | C35 | C34 | C39 | 12.0° | 30.0° |
| F38 | C35 | C34 | F37 | 120.3° | 120.0° |
| F38 | C35 | C34 | C33 | 167.8° | 150.0° |
| C40 | C39 | C34 | H391 | 180.0° | 179.4° |
| C39 | C40 | C31 | H401 | 180.0° | 179.5° |
| C40 | C39 | C34 | C35 | 179.6° | 179.7° |
| C40 | C39 | C34 | C33 | 0.1° | 0.3° |
| C39 | C40 | C31 | N30 | 179.8° | 179.7° |
| C39 | C40 | C31 | C32 | 0.2° | 0.6° |
| C34 | C39 | C40 | C31 | 0.0° | 0.5° |
| C39 | C34 | C35 | C33 | 179.7° | 180.0° |
| C39 | C34 | C35 | F37 | 108.4° | 90.0° |
| C39 | C34 | C33 | C32 | 0.0° | 0.0° |
| C39 | C34 | C33 | H331 | 180.0° | 180.0° |
| C34 | C39 | C40 | H401 | 180.0° | 180.0° |
| C40 | C31 | N30 | C32 | 180.0° | 179.7° |
| C40 | C31 | N30 | C29 | 50.6° | 32.3° |
| C40 | C31 | C32 | C33 | 0.3° | 0.3° |
| C40 | C31 | C32 | H321 | 179.7° | 179.8° |
| C31 | C40 | C39 | H391 | 180.0° | 179.9° |
| C40 | C31 | N30 | H301 | 129.4° | 147.7° |
| C35 | C34 | C33 | C32 | 179.7° | 180.0° |
| C35 | C34 | C33 | H331 | 0.3° | 0.0° |
| C35 | C34 | C39 | H391 | 0.4° | 0.3° |
| F37 | C35 | C34 | C33 | 71.9° | 90.0° |
| C34 | C33 | C32 | C31 | 0.2° | 0.0° |
| C34 | C33 | C32 | H331 | 180.0° | 180.0° |
| C34 | C33 | C32 | H321 | 179.8° | 179.9° |
| C33 | C34 | C39 | H391 | 179.9° | 179.7° |
| C31 | N30 | C29 | H301 | 180.0° | 179.9° |
| N30 | C31 | C32 | C33 | 179.7° | 180.0° |
| C31 | N30 | C29 | O28 | 165.1° | 178.0° |
| C31 | N30 | C29 | O41 | 10.5° | 2.0° |
| N30 | C31 | C32 | H321 | 0.3° | 0.1° |
| N30 | C31 | C40 | H401 | 0.2° | 0.2° |
| C32 | C31 | N30 | C29 | 129.5° | 148.0° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | H331 | 179.8° | 180.0° |
| C32 | C31 | C40 | H401 | 179.8° | 180.0° |
| C32 | C31 | N30 | H301 | 50.5° | 32.1° |
| N30 | C29 | O28 | O41 | 175.7° | 180.0° |
| N30 | C29 | O28 | C27 | 160.8° | 180.0° |
| C26 | C25 | C27 | O28 | 82.0° | 97.8° |
| C26 | C25 | C27 | C24 | 127.8° | 120.0° |
| C26 | C25 | C27 | H251 | 116.8° | 119.9° |
| C26 | C25 | C24 | H251 | 119.9° | 120.0° |
| C26 | C25 | C24 | C22 | 37.8° | 53.6° |
| C26 | C25 | C24 | O42 | 159.2° | 67.4° |
| C26 | C25 | C24 | H241 | 84.0° | 173.1° |
| C25 | C26 | H263 | H262 | 120.0° | 120.0° |
| C25 | C26 | H263 | H261 | 120.0° | 120.0° |
| C25 | C26 | H262 | H261 | 120.0° | 120.0° |
| C26 | C25 | C27 | H271 | 38.5° | 142.3° |
| C26 | C25 | C27 | H272 | 157.4° | 22.2° |
| C29 | O28 | C27 | C25 | 93.0° | 180.0° |
| C29 | O28 | C27 | H271 | 146.5° | 60.0° |
| C29 | O28 | C27 | H272 | 27.6° | 60.0° |
| O28 | C29 | N30 | H301 | 14.9° | 2.0° |
| O41 | C29 | O28 | C27 | 14.9° | 0.0° |
| O41 | C29 | N30 | H301 | 169.5° | 178.0° |
| O28 | C27 | C25 | H271 | 120.6° | 119.9° |
| O28 | C27 | C25 | H272 | 120.5° | 120.0° |
| O28 | C27 | C25 | C24 | 150.2° | 142.2° |
| O28 | C27 | C25 | H251 | 34.7° | 22.1° |
| O28 | C27 | H271 | H272 | 118.3° | 120.0° |
| C27 | C25 | C24 | H251 | 115.5° | 120.0° |
| C27 | C25 | C24 | C22 | 162.3° | 66.4° |
| C27 | C25 | C24 | O42 | 76.3° | 172.6° |
| C27 | C25 | C24 | H241 | 40.5° | 53.1° |
| C27 | C25 | C26 | H263 | 180.0° | 69.1° |
| C27 | C25 | C26 | H262 | 60.0° | 170.9° |
| C27 | C25 | C26 | H261 | 60.0° | 50.9° |
| C25 | C27 | H271 | H272 | 118.3° | 120.0° |
| C25 | C24 | C22 | C23 | 62.2° | 136.5° |
| C25 | C24 | C22 | O42 | 120.4° | 120.3° |
| C25 | C24 | C22 | H241 | 121.8° | 119.4° |
| C25 | C24 | C22 | C21 | 167.9° | 16.7° |
| C25 | C24 | O42 | H241 | 115.7° | 119.5° |
| C25 | C24 | O42 | C43 | 128.4° | 27.9° |
| C25 | C24 | C22 | H221 | 53.4° | 103.1° |
| C24 | C25 | C26 | H263 | 56.7° | 50.9° |
| C24 | C25 | C26 | H262 | 176.7° | 69.1° |
| C24 | C25 | C26 | H261 | 63.3° | 170.9° |
| C24 | C25 | C27 | H271 | 89.2° | 22.2° |
| C24 | C25 | C27 | H272 | 29.7° | 97.8° |
| C23 | C22 | C24 | C21 | 129.9° | 119.8° |
| C23 | C22 | C24 | H221 | 115.5° | 120.3° |
| C23 | C22 | C21 | H221 | 116.5° | 120.4° |
| C23 | C22 | C24 | O42 | 58.2° | 103.2° |
| C23 | C22 | C21 | C20 | 13.7° | 110.2° |
| C23 | C22 | C21 | H211 | 166.3° | 73.4° |
| C23 | C22 | C24 | H241 | 176.0° | 17.1° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H232 | H233 | 120.0° | 120.0° |
| C24 | C22 | C21 | H221 | 114.3° | 119.8° |
| C22 | C24 | O42 | H241 | 116.8° | 120.3° |
| C22 | C24 | O42 | C43 | 104.2° | 148.1° |
| C24 | C22 | C21 | C20 | 115.6° | 129.9° |
| C24 | C22 | C21 | H211 | 64.5° | 46.4° |
| C24 | C22 | C23 | H231 | 180.0° | 60.0° |
| C24 | C22 | C23 | H232 | 60.0° | 180.0° |
| C24 | C22 | C23 | H233 | 60.0° | 60.0° |
| C22 | C24 | C25 | H251 | 82.2° | 173.6° |
| C21 | C22 | C24 | O42 | 71.8° | 137.0° |
| C22 | C21 | C20 | H211 | 180.0° | 176.4° |
| C22 | C21 | C20 | C19 | 175.7° | 172.3° |
| C22 | C21 | C20 | H201 | 4.3° | 7.1° |
| C21 | C22 | C24 | H241 | 46.0° | 102.7° |
| C21 | C22 | C23 | H231 | 52.1° | 179.4° |
| C21 | C22 | C23 | H232 | 67.9° | 60.5° |
| C21 | C22 | C23 | H233 | 172.1° | 59.4° |
| C24 | O42 | C43 | C44 | 171.1° | 174.7° |
| C24 | O42 | C43 | O51 | 6.0° | 5.4° |
| O42 | C24 | C22 | H221 | 173.7° | 17.2° |
| O42 | C24 | C25 | H251 | 39.3° | 52.6° |
| O42 | C43 | C44 | O51 | 177.1° | 180.0° |
| O42 | C43 | C44 | C45 | 72.1° | 87.6° |
| O42 | C43 | C44 | N48 | 169.3° | 155.2° |
| C43 | O42 | C24 | H241 | 12.6° | 91.6° |
| O42 | C43 | C44 | H441 | 45.8° | 34.1° |
| C21 | C20 | C19 | H201 | 180.0° | 179.4° |
| C21 | C20 | C19 | N18 | 173.9° | 177.3° |
| C21 | C20 | C19 | O52 | 5.9° | 2.6° |
| C20 | C21 | C22 | H221 | 130.1° | 10.1° |
| C43 | C44 | C45 | N48 | 127.3° | 118.4° |
| C43 | C44 | C45 | H441 | 118.1° | 121.7° |
| C43 | C44 | N48 | H441 | 123.2° | 121.4° |
| C43 | C44 | C45 | C46 | 152.1° | 98.4° |
| C43 | C44 | N48 | C49 | 62.7° | 82.0° |
| C43 | C44 | N48 | C47 | 123.5° | 98.1° |
| C43 | C44 | C45 | H451 | 88.6° | 142.7° |
| C43 | C44 | C45 | H452 | 32.8° | 20.4° |
| O51 | C43 | C44 | C45 | 105.1° | 92.4° |
| O51 | C43 | C44 | N48 | 13.6° | 24.8° |
| O51 | C43 | C44 | H441 | 137.0° | 145.9° |
| C45 | C44 | N48 | H441 | 113.9° | 120.3° |
| C44 | C45 | C46 | H451 | 119.3° | 118.9° |
| C44 | C45 | C46 | H452 | 119.3° | 118.8° |
| C44 | C45 | C46 | C47 | 38.6° | 12.3° |
| C45 | C44 | N48 | C49 | 174.4° | 159.6° |
| C45 | C44 | N48 | C47 | 0.6° | 20.3° |
| C44 | C45 | H451 | H452 | 122.0° | 122.2° |
| C44 | C45 | C46 | H462 | 80.0° | 131.5° |
| C44 | C45 | C46 | H461 | 157.2° | 106.9° |
| N48 | C44 | C45 | C46 | 24.7° | 20.0° |
| C44 | N48 | C49 | O50 | 8.3° | 23.0° |
| C44 | N48 | C47 | C46 | 23.8° | 12.3° |
| C44 | N48 | C49 | C47 | 172.8° | 179.9° |
| C44 | N48 | C49 | C08 | 171.8° | 157.1° |
| N48 | C44 | C45 | H451 | 144.1° | 98.9° |
| N48 | C44 | C45 | H452 | 94.6° | 138.8° |
| C44 | N48 | C47 | H471 | 143.0° | 132.0° |
| C44 | N48 | C47 | H472 | 95.5° | 107.4° |
| C45 | C46 | C47 | H462 | 118.6° | 119.2° |
| C45 | C46 | C47 | H461 | 118.6° | 119.2° |
| C45 | C46 | C47 | N48 | 38.0° | 0.6° |
| C46 | C45 | C44 | H441 | 89.8° | 139.9° |
| C46 | C45 | H451 | H452 | 122.0° | 122.2° |
| C45 | C46 | H462 | H461 | 124.0° | 121.5° |
| C45 | C46 | C47 | H471 | 157.3° | 119.2° |
| C45 | C46 | C47 | H472 | 81.3° | 120.2° |
| C20 | C19 | N18 | O52 | 179.8° | 179.9° |
| C20 | C19 | N18 | C17 | 178.1° | 163.0° |
| C19 | C20 | C21 | H211 | 4.3° | 4.1° |
| C20 | C19 | N18 | H181 | 1.9° | 17.0° |
| O50 | C49 | N48 | C08 | 179.9° | 179.9° |
| O50 | C49 | N48 | C47 | 164.5° | 156.9° |
| O50 | C49 | C08 | C09 | 33.1° | 139.5° |
| O50 | C49 | C08 | N07 | 142.5° | 44.6° |
| C46 | C47 | N48 | C49 | 149.9° | 167.6° |
| C46 | C47 | N48 | H471 | 119.3° | 119.7° |
| C46 | C47 | N48 | H472 | 119.3° | 119.6° |
| C47 | C46 | C45 | H451 | 157.9° | 106.6° |
| C47 | C46 | C45 | H452 | 80.8° | 131.1° |
| C47 | C46 | H462 | H461 | 124.0° | 121.7° |
| C46 | C47 | H471 | H472 | 122.1° | 120.6° |
| N48 | C49 | C08 | C09 | 146.8° | 40.4° |
| N48 | C49 | C08 | N07 | 37.6° | 135.5° |
| C49 | N48 | C44 | H441 | 60.5° | 39.4° |
| C49 | N48 | C47 | H471 | 30.6° | 47.9° |
| C49 | N48 | C47 | H472 | 90.8° | 72.7° |
| C47 | N48 | C49 | C08 | 15.4° | 23.0° |
| C47 | N48 | C44 | H441 | 113.3° | 140.5° |
| N48 | C47 | C46 | H462 | 80.6° | 119.7° |
| N48 | C47 | C46 | H461 | 156.6° | 118.6° |
| N48 | C47 | H471 | H472 | 122.1° | 120.6° |
| C49 | C08 | C09 | N07 | 176.1° | 176.4° |
| C49 | C08 | C09 | O10 | 175.3° | 174.5° |
| C49 | C08 | N07 | C06 | 172.9° | 172.9° |
| C49 | C08 | C09 | H091 | 4.7° | 5.5° |
| C19 | N18 | C17 | H181 | 180.0° | 180.0° |
| C19 | N18 | C17 | C16 | 121.2° | 80.5° |
| C19 | N18 | C17 | H172 | 118.6° | 159.9° |
| C19 | N18 | C17 | H171 | 0.9° | 39.0° |
| N18 | C19 | C20 | H201 | 6.1° | 2.0° |
| O52 | C19 | N18 | C17 | 2.1° | 16.9° |
| O52 | C19 | C20 | H201 | 174.1° | 178.0° |
| O52 | C19 | N18 | H181 | 177.9° | 163.1° |
| N18 | C17 | C16 | H172 | 120.3° | 119.6° |
| N18 | C17 | C16 | H171 | 120.2° | 119.6° |
| N18 | C17 | C16 | C15 | 95.5° | 175.7° |
| N18 | C17 | H172 | H171 | 119.3° | 120.9° |
| N18 | C17 | C16 | H161 | 84.6° | 4.3° |
| C08 | C09 | O10 | H091 | 180.0° | 180.0° |
| C09 | C08 | N07 | C06 | 10.9° | 3.8° |
| C08 | C09 | O10 | C06 | 2.5° | 0.6° |
| N07 | C08 | C09 | O10 | 8.6° | 1.9° |
| C08 | N07 | C06 | O10 | 9.8° | 4.2° |
| C08 | N07 | C06 | C05 | 165.7° | 177.0° |
| N07 | C08 | C09 | H091 | 171.4° | 178.1° |
| C09 | O10 | C06 | N07 | 4.5° | 3.0° |
| C09 | O10 | C06 | C05 | 171.4° | 178.2° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C13 | 172.7° | 179.5° |
| C17 | C16 | C15 | H151 | 7.3° | 0.6° |
| C16 | C17 | H172 | H171 | 119.3° | 120.8° |
| C16 | C17 | N18 | H181 | 58.8° | 99.5° |
| C16 | C15 | C13 | H151 | 180.0° | 179.9° |
| C16 | C15 | C13 | C14 | 4.3° | 179.9° |
| C16 | C15 | C13 | C12 | 177.1° | 0.3° |
| C15 | C16 | C17 | H172 | 144.3° | 56.1° |
| C15 | C16 | C17 | H171 | 24.8° | 64.7° |
| N07 | C06 | O10 | C05 | 175.9° | 178.8° |
| N07 | C06 | C05 | C04 | 40.3° | 44.9° |
| N07 | C06 | C05 | H052 | 80.3° | 164.9° |
| N07 | C06 | C05 | H051 | 160.8° | 75.0° |
| O10 | C06 | C05 | C04 | 135.1° | 136.5° |
| O10 | C06 | C05 | H052 | 104.3° | 16.5° |
| O10 | C06 | C05 | H051 | 14.5° | 103.6° |
| C06 | O10 | C09 | H091 | 177.5° | 179.4° |
| C15 | C13 | C14 | C12 | 172.3° | 179.6° |
| C15 | C13 | C12 | C02 | 176.1° | 179.6° |
| C15 | C13 | C12 | H122 | 3.9° | 1.1° |
| C15 | C13 | C14 | H141 | 180.0° | 153.8° |
| C15 | C13 | C14 | H142 | 60.0° | 33.9° |
| C15 | C13 | C14 | H143 | 60.0° | 86.1° |
| C13 | C15 | C16 | H161 | 7.3° | 0.5° |
| C06 | C05 | C04 | O11 | 35.7° | 75.4° |
| C06 | C05 | C04 | H052 | 120.6° | 120.0° |
| C06 | C05 | C04 | H051 | 120.6° | 120.0° |
| C06 | C05 | C04 | C03 | 143.9° | 104.5° |
| C06 | C05 | H052 | H051 | 118.2° | 120.2° |
| O11 | C04 | C05 | C03 | 179.6° | 179.9° |
| O11 | C04 | C03 | C02 | 14.5° | 37.7° |
| O11 | C04 | C03 | H031 | 135.2° | 158.0° |
| O11 | C04 | C03 | H032 | 106.2° | 82.5° |
| O11 | C04 | C05 | H052 | 156.3° | 44.6° |
| O11 | C04 | C05 | H051 | 84.9° | 164.6° |
| C14 | C13 | C12 | C02 | 3.5° | 0.7° |
| C14 | C13 | C15 | H151 | 175.8° | 0.1° |
| C14 | C13 | C12 | H122 | 176.6° | 178.5° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C13 | C12 | C02 | H122 | 180.0° | 179.3° |
| C13 | C12 | C02 | C03 | 144.9° | 168.7° |
| C13 | C12 | C02 | O01 | 100.4° | 48.5° |
| C12 | C13 | C15 | H151 | 3.0° | 179.5° |
| C13 | C12 | C02 | H021 | 20.8° | 71.0° |
| C12 | C13 | C14 | H141 | 7.7° | 25.8° |
| C12 | C13 | C14 | H142 | 127.7° | 145.7° |
| C12 | C13 | C14 | H143 | 112.3° | 94.3° |
| C05 | C04 | C03 | C02 | 165.1° | 142.4° |
| C05 | C04 | C03 | H031 | 44.4° | 22.1° |
| C05 | C04 | C03 | H032 | 74.2° | 97.4° |
| C04 | C05 | H052 | H051 | 118.3° | 120.0° |
| C04 | C03 | C02 | C12 | 68.7° | 118.7° |
| C04 | C03 | C02 | H031 | 120.7° | 120.2° |
| C04 | C03 | C02 | H032 | 120.7° | 120.1° |
| C04 | C03 | C02 | O01 | 176.3° | 121.1° |
| C04 | C03 | C02 | H021 | 55.5° | 1.5° |
| C04 | C03 | H031 | H032 | 117.8° | 119.4° |
| C03 | C04 | C05 | H052 | 23.3° | 135.5° |
| C03 | C04 | C05 | H051 | 95.6° | 15.5° |
| C12 | C02 | C03 | O01 | 115.0° | 120.2° |
| C12 | C02 | C03 | H021 | 124.1° | 120.2° |
| C12 | C02 | O01 | H021 | 120.1° | 119.6° |
| C12 | C02 | C03 | H031 | 52.0° | 121.1° |
| C12 | C02 | C03 | H032 | 170.6° | 1.4° |
| C12 | C02 | O01 | H011 | 180.0° | 175.9° |
| C03 | C02 | O01 | H021 | 119.6° | 119.7° |
| C02 | C03 | H031 | H032 | 117.8° | 119.7° |
| C03 | C02 | C12 | H122 | 35.1° | 12.0° |
| C03 | C02 | O01 | H011 | 59.7° | 55.2° |
| O01 | C02 | C03 | H031 | 63.0° | 0.9° |
| O01 | C02 | C03 | H032 | 55.6° | 118.8° |
| O01 | C02 | C12 | H122 | 79.6° | 132.2° |
| H151 | C15 | C16 | H161 | 172.7° | 179.4° |
| H172 | C17 | C16 | H161 | 35.7° | 123.9° |
| H172 | C17 | N18 | H181 | 61.4° | 20.0° |
| H171 | C17 | C16 | H161 | 155.2° | 115.3° |
| H171 | C17 | N18 | H181 | 179.1° | 140.9° |
| H201 | C20 | C21 | H211 | 175.7° | 176.6° |
| H211 | C21 | C22 | H221 | 49.9° | 166.2° |
| H221 | C22 | C24 | H241 | 68.5° | 137.4° |
| H221 | C22 | C23 | H231 | 64.5° | 60.2° |
| H221 | C22 | C23 | H232 | 175.5° | 59.8° |
| H221 | C22 | C23 | H233 | 55.5° | 179.8° |
| H241 | C24 | C25 | H251 | 156.0° | 67.0° |
| H263 | C26 | H262 | H261 | 120.0° | 120.0° |
| H263 | C26 | C25 | H251 | 63.2° | 170.9° |
| H262 | C26 | C25 | H251 | 56.8° | 50.9° |
| H261 | C26 | C25 | H251 | 176.8° | 69.1° |
| H021 | C02 | C03 | H031 | 176.2° | 118.7° |
| H021 | C02 | C03 | H032 | 65.2° | 121.6° |
| H021 | C02 | C12 | H122 | 159.2° | 108.3° |
| H021 | C02 | O01 | H011 | 59.9° | 64.5° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H251 | C25 | C27 | H271 | 155.3° | 97.8° |
| H251 | C25 | C27 | H272 | 85.8° | 142.2° |
| H321 | C32 | C33 | H331 | 0.2° | 0.1° |
| H391 | C39 | C40 | H401 | 0.0° | 0.6° |
| H441 | C44 | C45 | H451 | 29.5° | 21.0° |
| H441 | C44 | C45 | H452 | 150.9° | 101.3° |
| H451 | C45 | C46 | H462 | 39.3° | 12.7° |
| H451 | C45 | C46 | H461 | 83.5° | 134.2° |
| H452 | C45 | C46 | H462 | 160.6° | 109.6° |
| H452 | C45 | C46 | H461 | 37.8° | 11.9° |
| H462 | C46 | C47 | H471 | 38.6° | 0.0° |
| H462 | C46 | C47 | H472 | 160.1° | 120.7° |
| H461 | C46 | C47 | H471 | 84.2° | 121.6° |
| H461 | C46 | C47 | H472 | 37.3° | 1.0° |
