9SK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C43 | sing | 1.53Å | 1.53Å | |
| C10 | O09 | sing | 1.43Å | 1.38Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | O16 | sing | 1.43Å | 1.38Å | |
| C17 | C43 | sing | 1.53Å | 1.51Å | |
| C17 | O16 | sing | 1.43Å | 1.41Å | |
| C17 | S18 | sing | 1.81Å | 1.78Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C24 | sing | 1.53Å | 1.56Å | |
| C21 | O20 | sing | 1.43Å | 1.39Å | |
| C22 | O23 | sing | 1.43Å | 1.39Å | |
| C24 | C26 | sing | 1.53Å | 1.58Å | |
| C24 | O25 | sing | 1.43Å | 1.41Å | |
| C26 | C41 | sing | 1.53Å | 1.52Å | |
| C26 | N27 | sing | 1.47Å | 1.41Å | |
| C28 | C29 | doub | 1.36Å | 1.39Å | Aromatic |
| C28 | N27 | sing | 1.35Å | 1.39Å | Aromatic |
| C02 | C07 | sing | 1.41Å | 1.44Å | |
| C02 | O01 | doub | 1.22Å | 1.24Å | |
| C02 | O03 | sing | 1.34Å | 1.40Å | |
| C04 | C05 | doub | 1.41Å | 1.40Å | Aromatic |
| C04 | C50 | sing | 1.39Å | 1.43Å | Aromatic |
| C04 | O03 | sing | 1.35Å | 1.38Å | |
| C05 | C06 | sing | 1.46Å | 1.43Å | |
| C05 | C45 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.35Å | |
| C07 | C08 | sing | 1.51Å | 1.47Å | |
| C08 | O09 | sing | 1.43Å | 1.38Å | |
| C11 | O12 | sing | 1.43Å | 1.42Å | |
| C14 | O15 | sing | 1.43Å | 1.40Å | |
| C19 | C41 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.39Å | |
| C19 | S18 | sing | 1.81Å | 1.82Å | |
| C29 | C30 | sing | 1.48Å | 1.42Å | |
| C29 | N39 | sing | 1.35Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C38 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | F33 | sing | 1.35Å | 1.32Å | |
| C34 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C34 | F35 | sing | 1.35Å | 1.29Å | |
| C36 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
| C36 | F37 | sing | 1.35Å | 1.31Å | |
| C41 | O42 | sing | 1.43Å | 1.43Å | |
| C43 | O44 | sing | 1.43Å | 1.42Å | |
| C45 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | F46 | sing | 1.35Å | 1.33Å | |
| C47 | C49 | sing | 1.39Å | 1.40Å | Aromatic |
| C47 | F48 | sing | 1.35Å | 1.33Å | |
| C49 | C50 | doub | 1.38Å | 1.40Å | Aromatic |
| N27 | N40 | sing | 1.29Å | 1.35Å | Aromatic |
| N39 | N40 | doub | 1.29Å | 1.27Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O25 | H251 | sing | 0.97Å | 0.95Å | |
| O42 | H421 | sing | 0.97Å | 0.95Å | |
| O44 | H441 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C43 | 110.1° | 109.1° |
| C11 | C10 | O09 | 113.4° | 109.5° |
| C10 | C11 | C13 | 110.6° | 109.2° |
| C10 | C11 | O12 | 106.4° | 109.5° |
| C11 | C10 | H101 | 107.8° | 109.5° |
| C10 | C11 | H111 | 109.2° | 109.6° |
| C43 | C10 | O09 | 107.7° | 109.6° |
| C10 | C43 | C17 | 109.9° | 109.2° |
| C10 | C43 | O44 | 109.3° | 109.5° |
| C43 | C10 | H101 | 107.8° | 109.5° |
| C10 | C43 | H431 | 108.1° | 109.5° |
| C10 | O09 | C08 | 115.9° | 114.0° |
| O09 | C10 | H101 | 110.0° | 109.6° |
| C11 | C13 | C14 | 109.9° | 109.5° |
| C11 | C13 | O16 | 110.1° | 109.4° |
| C13 | C11 | O12 | 110.5° | 109.5° |
| C11 | C13 | H131 | 107.2° | 109.4° |
| C13 | C11 | H111 | 109.3° | 109.5° |
| C14 | C13 | O16 | 113.2° | 109.5° |
| C13 | C14 | O15 | 110.2° | 109.5° |
| C14 | C13 | H131 | 107.0° | 109.5° |
| C13 | C14 | H141 | 109.3° | 109.5° |
| C13 | C14 | H142 | 109.3° | 109.5° |
| C13 | O16 | C17 | 114.5° | 114.2° |
| O16 | C13 | H131 | 109.2° | 109.5° |
| C43 | C17 | O16 | 111.4° | 109.4° |
| C43 | C17 | S18 | 111.3° | 109.5° |
| C17 | C43 | O44 | 111.3° | 109.6° |
| C43 | C17 | H171 | 108.3° | 109.5° |
| C17 | C43 | H431 | 108.4° | 109.5° |
| O16 | C17 | S18 | 110.5° | 109.5° |
| O16 | C17 | H171 | 109.7° | 109.5° |
| C17 | S18 | C19 | 103.0° | 103.0° |
| S18 | C17 | H171 | 105.4° | 109.5° |
| C22 | C21 | C24 | 110.6° | 109.5° |
| C22 | C21 | O20 | 108.7° | 109.5° |
| C21 | C22 | O23 | 109.1° | 109.5° |
| C22 | C21 | H211 | 108.8° | 109.5° |
| C21 | C22 | H222 | 109.6° | 109.5° |
| C21 | C22 | H221 | 109.6° | 109.5° |
| C24 | C21 | O20 | 109.6° | 109.4° |
| C21 | C24 | C26 | 107.4° | 109.2° |
| C21 | C24 | O25 | 109.3° | 109.5° |
| C24 | C21 | H211 | 108.4° | 109.4° |
| C21 | C24 | H241 | 110.3° | 109.5° |
| C21 | O20 | C19 | 115.2° | 114.1° |
| O20 | C21 | H211 | 110.7° | 109.5° |
| O23 | C22 | H222 | 109.6° | 109.5° |
| O23 | C22 | H221 | 109.5° | 109.4° |
| C22 | O23 | H231 | 109.5° | 114.0° |
| C26 | C24 | O25 | 106.9° | 109.5° |
| C24 | C26 | C41 | 110.8° | 109.1° |
| C24 | C26 | N27 | 108.5° | 109.6° |
| C26 | C24 | H241 | 110.1° | 109.5° |
| C24 | C26 | H261 | 106.0° | 109.6° |
| O25 | C24 | H241 | 112.6° | 109.6° |
| C24 | O25 | H251 | 109.5° | 114.0° |
| C41 | C26 | N27 | 116.4° | 109.5° |
| C26 | C41 | C19 | 107.8° | 109.1° |
| C26 | C41 | O42 | 107.5° | 109.5° |
| C41 | C26 | H261 | 106.6° | 109.5° |
| C26 | C41 | H411 | 110.4° | 109.5° |
| C26 | N27 | C28 | 128.4° | 125.8° |
| C26 | N27 | N40 | 123.9° | 125.8° |
| N27 | C26 | H261 | 108.0° | 109.6° |
| C29 | C28 | N27 | 106.0° | 106.0° |
| C28 | C29 | C30 | 129.3° | 126.9° |
| C28 | C29 | N39 | 105.6° | 106.2° |
| C29 | C28 | H281 | 127.0° | 127.0° |
| C28 | N27 | N40 | 107.7° | 108.5° |
| N27 | C28 | H281 | 127.0° | 127.0° |
| C07 | C02 | O01 | 124.7° | 119.2° |
| C07 | C02 | O03 | 123.8° | 121.7° |
| C02 | C07 | C06 | 115.2° | 119.8° |
| C02 | C07 | C08 | 120.2° | 120.1° |
| O01 | C02 | O03 | 111.6° | 119.2° |
| C02 | O03 | C04 | 117.6° | 121.5° |
| C05 | C04 | C50 | 120.5° | 119.5° |
| C05 | C04 | O03 | 120.4° | 119.8° |
| C04 | C05 | C06 | 119.3° | 119.0° |
| C04 | C05 | C45 | 117.3° | 119.9° |
| C50 | C04 | O03 | 119.0° | 120.8° |
| C04 | C50 | C49 | 120.7° | 120.1° |
| C04 | C50 | H501 | 119.7° | 119.9° |
| C06 | C05 | C45 | 123.4° | 121.1° |
| C05 | C06 | C07 | 122.8° | 118.2° |
| C05 | C06 | H061 | 118.6° | 120.9° |
| C05 | C45 | C47 | 122.5° | 119.6° |
| C05 | C45 | F46 | 120.7° | 120.2° |
| C06 | C07 | C08 | 123.0° | 120.1° |
| C07 | C06 | H061 | 118.6° | 120.9° |
| C07 | C08 | O09 | 112.9° | 109.5° |
| C07 | C08 | H081 | 108.6° | 109.4° |
| C07 | C08 | H082 | 108.6° | 109.5° |
| O09 | C08 | H081 | 108.6° | 109.5° |
| O09 | C08 | H082 | 108.6° | 109.5° |
| O12 | C11 | H111 | 110.8° | 109.6° |
| C11 | O12 | H121 | 109.5° | 114.1° |
| O15 | C14 | H141 | 109.3° | 109.5° |
| O15 | C14 | H142 | 109.3° | 109.5° |
| C14 | O15 | H151 | 109.5° | 114.0° |
| C41 | C19 | O20 | 111.8° | 109.4° |
| C41 | C19 | S18 | 107.7° | 109.5° |
| C19 | C41 | O42 | 109.0° | 109.5° |
| C41 | C19 | H191 | 109.8° | 109.5° |
| C19 | C41 | H411 | 110.2° | 109.5° |
| O20 | C19 | S18 | 108.9° | 109.5° |
| O20 | C19 | H191 | 111.9° | 109.5° |
| S18 | C19 | H191 | 106.6° | 109.5° |
| C30 | C29 | N39 | 125.1° | 126.9° |
| C29 | C30 | C31 | 120.3° | 120.1° |
| C29 | C30 | C38 | 121.4° | 120.1° |
| C29 | N39 | N40 | 110.6° | 108.7° |
| C31 | C30 | C38 | 118.3° | 119.9° |
| C30 | C31 | C32 | 121.2° | 119.9° |
| C30 | C31 | H311 | 119.4° | 120.0° |
| C30 | C38 | C36 | 121.3° | 119.9° |
| C30 | C38 | H381 | 119.4° | 120.0° |
| C31 | C32 | C34 | 121.6° | 120.1° |
| C31 | C32 | F33 | 121.2° | 119.9° |
| C32 | C31 | H311 | 119.4° | 120.1° |
| C34 | C32 | F33 | 117.3° | 120.0° |
| C32 | C34 | C36 | 116.2° | 120.1° |
| C32 | C34 | F35 | 121.5° | 119.9° |
| C36 | C34 | F35 | 122.3° | 119.9° |
| C34 | C36 | C38 | 121.4° | 120.1° |
| C34 | C36 | F37 | 116.8° | 119.9° |
| C38 | C36 | F37 | 121.8° | 120.0° |
| C36 | C38 | H381 | 119.3° | 120.0° |
| O42 | C41 | H411 | 111.7° | 109.6° |
| C41 | O42 | H421 | 109.5° | 114.0° |
| O44 | C43 | H431 | 109.7° | 109.5° |
| C43 | O44 | H441 | 109.5° | 114.0° |
| C47 | C45 | F46 | 116.8° | 120.2° |
| C45 | C47 | C49 | 120.5° | 120.2° |
| C45 | C47 | F48 | 120.4° | 119.9° |
| C49 | C47 | F48 | 119.1° | 119.9° |
| C47 | C49 | C50 | 118.5° | 120.7° |
| C47 | C49 | H491 | 120.8° | 119.6° |
| C50 | C49 | H491 | 120.7° | 119.7° |
| C49 | C50 | H501 | 119.6° | 119.9° |
| N27 | N40 | N39 | 110.1° | 110.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C43 | O09 | 124.1° | 119.9° |
| C11 | C10 | C43 | H101 | 117.3° | 119.8° |
| C11 | C10 | O09 | H101 | 120.7° | 120.2° |
| C10 | C11 | C13 | O12 | 117.6° | 119.9° |
| C10 | C11 | C13 | H111 | 120.3° | 120.0° |
| C10 | C11 | C13 | C14 | 179.4° | 177.6° |
| C10 | C11 | C13 | O16 | 55.3° | 57.5° |
| C11 | C10 | C43 | C17 | 50.2° | 56.9° |
| C11 | C10 | O09 | C08 | 83.6° | 150.0° |
| C10 | C11 | O12 | H111 | 118.6° | 120.2° |
| C11 | C10 | C43 | O44 | 172.6° | 176.9° |
| C10 | C11 | C13 | H131 | 63.4° | 62.4° |
| C11 | C10 | C43 | H431 | 68.0° | 63.0° |
| C10 | C11 | O12 | H121 | 180.0° | 180.0° |
| C43 | C10 | O09 | H101 | 117.2° | 120.2° |
| C43 | C10 | C11 | C13 | 50.9° | 56.9° |
| C10 | C43 | C17 | O44 | 121.3° | 120.0° |
| C10 | C43 | C17 | H431 | 118.0° | 119.9° |
| C10 | C43 | C17 | O16 | 54.2° | 57.6° |
| C10 | C43 | C17 | S18 | 178.0° | 177.6° |
| C43 | C10 | O09 | C08 | 154.3° | 90.4° |
| C43 | C10 | C11 | O12 | 69.2° | 63.0° |
| C10 | C43 | O44 | H431 | 118.4° | 120.1° |
| C10 | C43 | C17 | H171 | 66.5° | 62.4° |
| C43 | C10 | C11 | H111 | 171.2° | 176.8° |
| C10 | C43 | O44 | H441 | 180.0° | 180.0° |
| O09 | C10 | C11 | C13 | 171.6° | 176.9° |
| O09 | C10 | C43 | C17 | 174.2° | 176.8° |
| C10 | O09 | C08 | C07 | 162.0° | 179.9° |
| O09 | C10 | C11 | O12 | 51.5° | 57.0° |
| O09 | C10 | C43 | O44 | 63.3° | 63.2° |
| C10 | O09 | C08 | H081 | 77.5° | 60.0° |
| C10 | O09 | C08 | H082 | 41.5° | 60.0° |
| O09 | C10 | C11 | H111 | 68.1° | 63.2° |
| O09 | C10 | C43 | H431 | 56.0° | 56.9° |
| C11 | C13 | C14 | O16 | 123.5° | 119.9° |
| C11 | C13 | C14 | H131 | 116.1° | 120.0° |
| C11 | C13 | O16 | H131 | 117.5° | 119.9° |
| C11 | C13 | O16 | C17 | 61.5° | 61.1° |
| C13 | C11 | O12 | H111 | 121.3° | 120.1° |
| C11 | C13 | C14 | O15 | 173.1° | 175.0° |
| C13 | C11 | C10 | H101 | 66.5° | 62.9° |
| C11 | C13 | C14 | H141 | 53.0° | 55.0° |
| C11 | C13 | C14 | H142 | 66.8° | 65.0° |
| C13 | C11 | O12 | H121 | 59.9° | 60.3° |
| C14 | C13 | O16 | H131 | 119.1° | 120.1° |
| C14 | C13 | O16 | C17 | 175.1° | 178.8° |
| C14 | C13 | C11 | O12 | 63.1° | 57.7° |
| C13 | C14 | O15 | H141 | 120.1° | 120.0° |
| C13 | C14 | O15 | H142 | 120.1° | 120.0° |
| C14 | C13 | C11 | H111 | 59.1° | 62.5° |
| C13 | C14 | H141 | H142 | 119.6° | 120.0° |
| C13 | C14 | O15 | H151 | 180.0° | 180.0° |
| C13 | O16 | C17 | C43 | 61.8° | 61.2° |
| C13 | O16 | C17 | S18 | 173.9° | 178.8° |
| O16 | C13 | C11 | O12 | 62.2° | 62.4° |
| O16 | C13 | C14 | O15 | 63.3° | 65.1° |
| C13 | O16 | C17 | H171 | 58.1° | 58.8° |
| O16 | C13 | C11 | H111 | 175.6° | 177.5° |
| O16 | C13 | C14 | H141 | 176.5° | 174.9° |
| O16 | C13 | C14 | H142 | 56.8° | 54.9° |
| C43 | C17 | O16 | S18 | 124.3° | 120.0° |
| C43 | C17 | O16 | H171 | 119.9° | 120.0° |
| C43 | C17 | S18 | H171 | 117.2° | 120.0° |
| C43 | C17 | S18 | C19 | 131.7° | 175.0° |
| C17 | C43 | O44 | H431 | 120.0° | 120.1° |
| C17 | C43 | C10 | H101 | 67.2° | 62.9° |
| C17 | C43 | O44 | H441 | 58.3° | 60.3° |
| O16 | C17 | S18 | H171 | 118.5° | 120.0° |
| O16 | C17 | S18 | C19 | 104.0° | 65.1° |
| O16 | C17 | C43 | O44 | 175.5° | 177.5° |
| C17 | O16 | C13 | H131 | 56.0° | 58.8° |
| O16 | C17 | C43 | H431 | 63.8° | 62.3° |
| C17 | S18 | C19 | C41 | 177.5° | 175.0° |
| C17 | S18 | C19 | O20 | 56.1° | 65.1° |
| S18 | C17 | C43 | O44 | 60.7° | 62.4° |
| C17 | S18 | C19 | H191 | 64.7° | 54.9° |
| S18 | C17 | C43 | H431 | 60.0° | 57.7° |
| C22 | C21 | C24 | O20 | 119.9° | 120.0° |
| C22 | C21 | C24 | H211 | 119.2° | 120.0° |
| C22 | C21 | O20 | H211 | 119.5° | 120.0° |
| C21 | C22 | O23 | H222 | 120.0° | 120.1° |
| C21 | C22 | O23 | H221 | 119.9° | 120.0° |
| C22 | C21 | C24 | C26 | 176.1° | 177.6° |
| C22 | C21 | C24 | O25 | 60.4° | 57.7° |
| C22 | C21 | O20 | C19 | 176.7° | 178.8° |
| C21 | C22 | H222 | H221 | 120.2° | 120.0° |
| C22 | C21 | C24 | H241 | 63.9° | 62.5° |
| C21 | C22 | O23 | H231 | 180.0° | 180.0° |
| C24 | C21 | O20 | H211 | 119.5° | 119.9° |
| C24 | C21 | C22 | O23 | 178.0° | 175.0° |
| C21 | C24 | C26 | O25 | 117.3° | 119.9° |
| C21 | C24 | C26 | H241 | 120.2° | 119.9° |
| C21 | C24 | O25 | H241 | 123.0° | 120.1° |
| C21 | C24 | C26 | C41 | 54.9° | 57.0° |
| C21 | C24 | C26 | N27 | 176.2° | 176.8° |
| C24 | C21 | O20 | C19 | 62.3° | 61.1° |
| C24 | C21 | C22 | H222 | 58.1° | 55.0° |
| C24 | C21 | C22 | H221 | 62.1° | 65.1° |
| C21 | C24 | C26 | H261 | 60.4° | 62.9° |
| C21 | C24 | O25 | H251 | 180.0° | 60.0° |
| O20 | C21 | C22 | O23 | 61.6° | 65.0° |
| O20 | C21 | C24 | C26 | 56.2° | 57.6° |
| O20 | C21 | C24 | O25 | 59.5° | 62.3° |
| C21 | O20 | C19 | C41 | 62.4° | 61.2° |
| C21 | O20 | C19 | S18 | 178.7° | 178.9° |
| O20 | C21 | C22 | H222 | 178.5° | 174.9° |
| O20 | C21 | C22 | H221 | 58.3° | 54.9° |
| O20 | C21 | C24 | H241 | 176.2° | 177.5° |
| C21 | O20 | C19 | H191 | 61.2° | 58.8° |
| O23 | C22 | C21 | H211 | 59.1° | 55.0° |
| O23 | C22 | H222 | H221 | 120.1° | 119.9° |
| C26 | C24 | O25 | H241 | 121.0° | 120.2° |
| C24 | C26 | C41 | N27 | 124.5° | 119.9° |
| C24 | C26 | C41 | H261 | 114.9° | 119.9° |
| C24 | C26 | N27 | H261 | 114.5° | 120.3° |
| C24 | C26 | N27 | C28 | 69.0° | 85.0° |
| C24 | C26 | C41 | C19 | 54.0° | 57.0° |
| C24 | C26 | C41 | O42 | 171.3° | 176.9° |
| C24 | C26 | N27 | N40 | 110.1° | 94.9° |
| C26 | C24 | C21 | H211 | 64.7° | 62.4° |
| C24 | C26 | C41 | H411 | 66.5° | 62.9° |
| C26 | C24 | O25 | H251 | 64.0° | 179.7° |
| O25 | C24 | C26 | C41 | 62.4° | 62.9° |
| O25 | C24 | C26 | N27 | 66.5° | 56.9° |
| O25 | C24 | C21 | H211 | 179.6° | 177.7° |
| O25 | C24 | C26 | H261 | 177.7° | 177.2° |
| C41 | C26 | N27 | H261 | 119.8° | 120.2° |
| C41 | C26 | N27 | C28 | 56.7° | 34.6° |
| C26 | C41 | C19 | O42 | 116.4° | 119.9° |
| C26 | C41 | C19 | H411 | 120.6° | 119.9° |
| C26 | C41 | C19 | O20 | 55.8° | 57.6° |
| C26 | C41 | C19 | S18 | 175.4° | 177.6° |
| C26 | C41 | O42 | H411 | 121.3° | 120.1° |
| C41 | C26 | N27 | N40 | 124.2° | 145.5° |
| C41 | C26 | C24 | H241 | 175.0° | 176.9° |
| C26 | C41 | C19 | H191 | 69.0° | 62.4° |
| C26 | C41 | O42 | H421 | 180.0° | 180.0° |
| C26 | N27 | C28 | C29 | 179.8° | 179.9° |
| C26 | N27 | C28 | N40 | 179.2° | 180.0° |
| N27 | C26 | C41 | C19 | 178.5° | 176.9° |
| N27 | C26 | C41 | O42 | 64.1° | 63.2° |
| C26 | N27 | N40 | N39 | 180.0° | 179.9° |
| N27 | C26 | C24 | H241 | 56.0° | 63.3° |
| C26 | N27 | C28 | H281 | 0.3° | 0.3° |
| N27 | C26 | C41 | H411 | 58.0° | 57.0° |
| C29 | C28 | N27 | H281 | 180.0° | 179.7° |
| C28 | C29 | C30 | N39 | 178.7° | 180.0° |
| C28 | C29 | C30 | C31 | 163.5° | 180.0° |
| C28 | C29 | C30 | C38 | 17.8° | 0.2° |
| C29 | C28 | N27 | N40 | 0.5° | 0.0° |
| C28 | C29 | N39 | N40 | 0.3° | 0.0° |
| N27 | C28 | C29 | C30 | 179.1° | 180.0° |
| N27 | C28 | C29 | N39 | 0.1° | 0.0° |
| C28 | N27 | N40 | N39 | 0.8° | 0.0° |
| C28 | N27 | C26 | H261 | 176.5° | 154.7° |
| C07 | C02 | O01 | O03 | 180.0° | 179.8° |
| C07 | C02 | O03 | C04 | 10.7° | 0.0° |
| C02 | C07 | C06 | C05 | 3.8° | 0.5° |
| C02 | C07 | C06 | C08 | 165.4° | 180.0° |
| C02 | C07 | C08 | O09 | 66.7° | 180.0° |
| C02 | C07 | C06 | H061 | 176.2° | 180.0° |
| C02 | C07 | C08 | H081 | 172.8° | 60.1° |
| C02 | C07 | C08 | H082 | 53.8° | 60.0° |
| O01 | C02 | O03 | C04 | 169.3° | 179.8° |
| O01 | C02 | C07 | C06 | 170.0° | 180.0° |
| O01 | C02 | C07 | C08 | 4.1° | 0.0° |
| C02 | O03 | C04 | C05 | 4.8° | 0.0° |
| C02 | O03 | C04 | C50 | 174.7° | 179.8° |
| O03 | C02 | C07 | C06 | 10.0° | 0.3° |
| O03 | C02 | C07 | C08 | 175.9° | 179.7° |
| C05 | C04 | C50 | O03 | 179.5° | 179.8° |
| C04 | C05 | C06 | C45 | 179.2° | 180.0° |
| C04 | C05 | C06 | C07 | 1.4° | 0.5° |
| C04 | C05 | C45 | C47 | 0.7° | 0.0° |
| C04 | C05 | C45 | F46 | 179.6° | 180.0° |
| C05 | C04 | C50 | C49 | 0.0° | 0.0° |
| C04 | C05 | C06 | H061 | 178.6° | 180.0° |
| C05 | C04 | C50 | H501 | 180.0° | 180.0° |
| C50 | C04 | C05 | C06 | 179.6° | 180.0° |
| C50 | C04 | C05 | C45 | 0.4° | 0.0° |
| C04 | C50 | C49 | C47 | 0.0° | 0.0° |
| C04 | C50 | C49 | H501 | 180.0° | 180.0° |
| C04 | C50 | C49 | H491 | 179.9° | 180.0° |
| O03 | C04 | C05 | C06 | 0.9° | 0.2° |
| O03 | C04 | C05 | C45 | 179.9° | 179.8° |
| O03 | C04 | C50 | C49 | 179.5° | 179.8° |
| O03 | C04 | C50 | H501 | 0.5° | 0.3° |
| C05 | C06 | C07 | H061 | 180.0° | 179.5° |
| C05 | C06 | C07 | C08 | 169.2° | 179.5° |
| C06 | C05 | C45 | C47 | 179.9° | 180.0° |
| C06 | C05 | C45 | F46 | 0.4° | 0.0° |
| C45 | C05 | C06 | C07 | 179.5° | 179.5° |
| C05 | C45 | C47 | F46 | 179.7° | 180.0° |
| C05 | C45 | C47 | C49 | 0.7° | 0.1° |
| C05 | C45 | C47 | F48 | 179.9° | 180.0° |
| C45 | C05 | C06 | H061 | 0.5° | 0.0° |
| C06 | C07 | C08 | O09 | 98.0° | 0.0° |
| C06 | C07 | C08 | H081 | 22.5° | 120.0° |
| C06 | C07 | C08 | H082 | 141.5° | 120.0° |
| C07 | C08 | O09 | H081 | 120.5° | 119.9° |
| C07 | C08 | O09 | H082 | 120.5° | 120.0° |
| C08 | C07 | C06 | H061 | 10.8° | 0.0° |
| C07 | C08 | H081 | H082 | 118.4° | 120.0° |
| C08 | O09 | C10 | H101 | 37.1° | 29.8° |
| O09 | C08 | H081 | H082 | 118.5° | 120.0° |
| O12 | C11 | C10 | H101 | 173.5° | 177.2° |
| O12 | C11 | C13 | H131 | 179.1° | 177.7° |
| O15 | C14 | C13 | H131 | 57.0° | 55.0° |
| O15 | C14 | H141 | H142 | 119.7° | 120.0° |
| C41 | C19 | O20 | S18 | 118.9° | 120.0° |
| C41 | C19 | O20 | H191 | 123.6° | 120.0° |
| C41 | C19 | S18 | H191 | 117.7° | 120.1° |
| C19 | C41 | O42 | H411 | 122.1° | 120.2° |
| C19 | C41 | C26 | H261 | 60.9° | 62.9° |
| C19 | C41 | O42 | H421 | 63.4° | 60.3° |
| O20 | C19 | S18 | H191 | 120.8° | 120.0° |
| O20 | C19 | C41 | O42 | 172.2° | 177.5° |
| C19 | O20 | C21 | H211 | 57.3° | 58.8° |
| O20 | C19 | C41 | H411 | 64.8° | 62.3° |
| S18 | C19 | C41 | O42 | 68.2° | 62.5° |
| C19 | S18 | C17 | H171 | 14.5° | 55.0° |
| S18 | C19 | C41 | H411 | 54.8° | 57.7° |
| C29 | C30 | C31 | C38 | 178.8° | 179.8° |
| C29 | C30 | C31 | C32 | 178.9° | 180.0° |
| C29 | C30 | C38 | C36 | 179.7° | 179.7° |
| C30 | C29 | N39 | N40 | 178.7° | 180.0° |
| C30 | C29 | C28 | H281 | 0.9° | 0.3° |
| C29 | C30 | C31 | H311 | 1.1° | 0.0° |
| C29 | C30 | C38 | H381 | 0.3° | 0.1° |
| N39 | C29 | C30 | C31 | 17.8° | 0.0° |
| N39 | C29 | C30 | C38 | 161.0° | 179.8° |
| C29 | N39 | N40 | N27 | 0.7° | 0.0° |
| N39 | C29 | C28 | H281 | 179.9° | 179.7° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C34 | 1.1° | 0.0° |
| C30 | C31 | C32 | F33 | 179.4° | 180.0° |
| C31 | C30 | C38 | C36 | 1.5° | 0.5° |
| C31 | C30 | C38 | H381 | 178.5° | 179.7° |
| C38 | C30 | C31 | C32 | 0.1° | 0.2° |
| C30 | C38 | C36 | C34 | 1.8° | 0.5° |
| C30 | C38 | C36 | H381 | 180.0° | 179.8° |
| C30 | C38 | C36 | F37 | 179.1° | 179.7° |
| C38 | C30 | C31 | H311 | 179.9° | 179.8° |
| C31 | C32 | C34 | F33 | 178.3° | 179.9° |
| C31 | C32 | C34 | C36 | 0.8° | 0.0° |
| C31 | C32 | C34 | F35 | 179.7° | 180.0° |
| C32 | C34 | C36 | F35 | 179.5° | 180.0° |
| C32 | C34 | C36 | C38 | 0.6° | 0.3° |
| C32 | C34 | C36 | F37 | 178.0° | 180.0° |
| C34 | C32 | C31 | H311 | 178.9° | 180.0° |
| F33 | C32 | C34 | C36 | 179.2° | 180.0° |
| F33 | C32 | C34 | F35 | 1.4° | 0.0° |
| F33 | C32 | C31 | H311 | 0.6° | 0.0° |
| C34 | C36 | C38 | F37 | 177.3° | 179.8° |
| C34 | C36 | C38 | H381 | 178.2° | 179.7° |
| F35 | C34 | C36 | C38 | 178.9° | 179.7° |
| F35 | C34 | C36 | F37 | 1.5° | 0.1° |
| F37 | C36 | C38 | H381 | 0.9° | 0.1° |
| O42 | C41 | C26 | H261 | 56.5° | 57.0° |
| O42 | C41 | C19 | H191 | 47.4° | 57.5° |
| O44 | C43 | C10 | H101 | 55.3° | 57.1° |
| O44 | C43 | C17 | H171 | 54.7° | 57.5° |
| C45 | C47 | C49 | F48 | 179.3° | 179.9° |
| C45 | C47 | C49 | C50 | 0.3° | 0.1° |
| C45 | C47 | C49 | H491 | 179.7° | 180.0° |
| F46 | C45 | C47 | C49 | 179.7° | 179.9° |
| F46 | C45 | C47 | F48 | 0.4° | 0.0° |
| C47 | C49 | C50 | H491 | 180.0° | 180.0° |
| C47 | C49 | C50 | H501 | 179.9° | 179.9° |
| F48 | C47 | C49 | C50 | 179.5° | 180.0° |
| F48 | C47 | C49 | H491 | 0.5° | 0.0° |
| N40 | N27 | C26 | H261 | 4.4° | 25.3° |
| N40 | N27 | C28 | H281 | 179.5° | 179.7° |
| H101 | C10 | C11 | H111 | 53.9° | 57.0° |
| H101 | C10 | C43 | H431 | 174.6° | 177.2° |
| H131 | C13 | C11 | H111 | 56.9° | 57.6° |
| H131 | C13 | C14 | H141 | 63.2° | 65.0° |
| H131 | C13 | C14 | H142 | 177.1° | 175.0° |
| H171 | C17 | C43 | H431 | 175.5° | 177.7° |
| H211 | C21 | C22 | H222 | 60.9° | 65.0° |
| H211 | C21 | C22 | H221 | 179.0° | 174.9° |
| H211 | C21 | C24 | H241 | 55.2° | 57.6° |
| H222 | C22 | O23 | H231 | 60.0° | 59.9° |
| H221 | C22 | O23 | H231 | 60.1° | 60.0° |
| H241 | C24 | C26 | H261 | 59.8° | 57.0° |
| H241 | C24 | O25 | H251 | 57.0° | 60.2° |
| H261 | C26 | C41 | H411 | 178.6° | 177.2° |
| H111 | C11 | O12 | H121 | 61.4° | 59.8° |
| H141 | C14 | O15 | H151 | 59.9° | 60.0° |
| H142 | C14 | O15 | H151 | 59.9° | 60.0° |
| H191 | C19 | C41 | H411 | 170.4° | 177.8° |
| H411 | C41 | O42 | H421 | 58.7° | 59.9° |
| H431 | C43 | O44 | H441 | 61.6° | 59.9° |
| H491 | C49 | C50 | H501 | 0.1° | 0.0° |
