A1CHL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S02 | O01 | doub | 1.42Å | 1.45Å | |
| O03 | S02 | doub | 1.42Å | 1.47Å | |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.53Å | |
| O12 | C11 | doub | 1.22Å | 1.20Å | |
| N13 | C11 | sing | 1.35Å | 1.46Å | |
| C14 | N13 | sing | 1.40Å | 1.46Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C17 | sing | 1.51Å | 1.54Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| O22 | C21 | doub | 1.21Å | 1.19Å | |
| N23 | C21 | sing | 1.35Å | 1.43Å | |
| C24 | N23 | sing | 1.47Å | 1.42Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| N26 | C25 | sing | 1.47Å | 1.50Å | |
| C28 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| CL30 | C29 | sing | 1.74Å | 1.77Å | |
| C31 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| CL33 | C32 | sing | 1.74Å | 1.75Å | |
| C34 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | N26 | sing | 1.40Å | 1.43Å | |
| C35 | N26 | sing | 1.47Å | 1.49Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C05 | N04 | sing | 1.39Å | 1.44Å | |
| C37 | N04 | sing | 1.46Å | 1.45Å | |
| N04 | S02 | sing | 1.66Å | 1.68Å | |
| C38 | S02 | sing | 1.81Å | 1.82Å | |
| C05 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| N23 | C36 | sing | 1.47Å | 1.42Å | |
| C27 | C34 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | S02 | O03 | 106.9° | 121.1° |
| O01 | S02 | N04 | 109.8° | 104.3° |
| O01 | S02 | C38 | 109.5° | 110.6° |
| O03 | S02 | N04 | 113.5° | 104.3° |
| O03 | S02 | C38 | 108.6° | 110.5° |
| C05 | C06 | C07 | 119.5° | 120.1° |
| C06 | C05 | N04 | 114.0° | 120.2° |
| C06 | C05 | C10 | 120.2° | 119.6° |
| C05 | C06 | H061 | 120.2° | 120.0° |
| C06 | C07 | C08 | 120.6° | 120.4° |
| C07 | C06 | H061 | 120.2° | 119.9° |
| C06 | C07 | H071 | 119.7° | 119.8° |
| C07 | C08 | C09 | 119.8° | 120.4° |
| C08 | C07 | H071 | 119.7° | 119.8° |
| C07 | C08 | H081 | 120.1° | 119.8° |
| C08 | C09 | C10 | 119.4° | 119.9° |
| C09 | C08 | H081 | 120.1° | 119.8° |
| C08 | C09 | H091 | 120.3° | 120.1° |
| C09 | C10 | C11 | 117.9° | 120.2° |
| C09 | C10 | C05 | 120.4° | 119.6° |
| C10 | C09 | H091 | 120.3° | 120.0° |
| C10 | C11 | O12 | 123.1° | 120.0° |
| C10 | C11 | N13 | 110.8° | 120.0° |
| C11 | C10 | C05 | 121.6° | 120.2° |
| O12 | C11 | N13 | 126.1° | 120.0° |
| C11 | N13 | C14 | 125.1° | 120.0° |
| C11 | N13 | H131 | 117.5° | 120.0° |
| N13 | C14 | C15 | 114.7° | 120.1° |
| N13 | C14 | C19 | 123.9° | 120.1° |
| C14 | N13 | H131 | 117.5° | 120.0° |
| C14 | C15 | C16 | 119.1° | 119.9° |
| C15 | C14 | C19 | 121.2° | 119.9° |
| C14 | C15 | H151 | 120.5° | 120.1° |
| C15 | C16 | C17 | 119.8° | 120.1° |
| C16 | C15 | H151 | 120.5° | 120.0° |
| C15 | C16 | H161 | 120.1° | 120.0° |
| C16 | C17 | C18 | 121.1° | 120.1° |
| C16 | C17 | C20 | 115.8° | 119.9° |
| C17 | C16 | H161 | 120.1° | 119.9° |
| C19 | C18 | C17 | 119.3° | 120.1° |
| C18 | C19 | C14 | 119.6° | 119.9° |
| C19 | C18 | H181 | 120.3° | 120.0° |
| C18 | C19 | H191 | 120.2° | 120.0° |
| C18 | C17 | C20 | 123.1° | 120.0° |
| C17 | C18 | H181 | 120.4° | 119.9° |
| C17 | C20 | C21 | 116.4° | 109.5° |
| C17 | C20 | H201 | 107.7° | 109.5° |
| C17 | C20 | H202 | 107.7° | 109.5° |
| C20 | C21 | O22 | 124.1° | 119.9° |
| C20 | C21 | N23 | 116.7° | 120.0° |
| C21 | C20 | H201 | 107.7° | 109.5° |
| C21 | C20 | H202 | 107.7° | 109.4° |
| O22 | C21 | N23 | 119.1° | 120.0° |
| C21 | N23 | C24 | 121.1° | 120.9° |
| C21 | N23 | C36 | 120.7° | 120.9° |
| N23 | C24 | C25 | 107.6° | 108.5° |
| C24 | N23 | C36 | 118.0° | 118.2° |
| N23 | C24 | H241 | 109.9° | 109.6° |
| N23 | C24 | H242 | 109.9° | 109.6° |
| C24 | C25 | N26 | 105.6° | 109.3° |
| C25 | C24 | H241 | 109.9° | 109.7° |
| C25 | C24 | H242 | 109.9° | 109.8° |
| C24 | C25 | H251 | 110.4° | 109.5° |
| C24 | C25 | H252 | 110.4° | 109.5° |
| C25 | N26 | C27 | 115.0° | 111.0° |
| C25 | N26 | C35 | 111.9° | 111.3° |
| N26 | C25 | H251 | 110.4° | 109.5° |
| N26 | C25 | H252 | 110.4° | 109.5° |
| C27 | C28 | C29 | 117.6° | 119.9° |
| C28 | C27 | N26 | 118.4° | 120.1° |
| C28 | C27 | C34 | 122.2° | 119.9° |
| C27 | C28 | H281 | 121.2° | 120.1° |
| C28 | C29 | CL30 | 115.4° | 120.0° |
| C28 | C29 | C31 | 122.5° | 120.0° |
| C29 | C28 | H281 | 121.2° | 120.0° |
| CL30 | C29 | C31 | 122.1° | 119.9° |
| C29 | C31 | C32 | 117.8° | 120.1° |
| C29 | C31 | H311 | 121.1° | 119.9° |
| C31 | C32 | CL33 | 120.0° | 120.0° |
| C31 | C32 | C34 | 121.3° | 120.0° |
| C32 | C31 | H311 | 121.1° | 120.0° |
| CL33 | C32 | C34 | 118.7° | 120.0° |
| C32 | C34 | C27 | 118.6° | 119.9° |
| C32 | C34 | H341 | 120.7° | 120.0° |
| C27 | N26 | C35 | 121.9° | 111.0° |
| N26 | C27 | C34 | 119.3° | 120.0° |
| N26 | C35 | C36 | 110.8° | 109.3° |
| N26 | C35 | H351 | 109.1° | 109.5° |
| N26 | C35 | H352 | 109.1° | 109.6° |
| C35 | C36 | N23 | 106.9° | 108.5° |
| C36 | C35 | H351 | 109.1° | 109.5° |
| C36 | C35 | H352 | 109.1° | 109.5° |
| C35 | C36 | H361 | 110.1° | 109.7° |
| C35 | C36 | H362 | 110.1° | 109.6° |
| C05 | N04 | C37 | 119.4° | 120.0° |
| C05 | N04 | S02 | 118.5° | 120.0° |
| N04 | C05 | C10 | 125.8° | 120.2° |
| C37 | N04 | S02 | 121.5° | 120.0° |
| N04 | C37 | H371 | 109.5° | 109.5° |
| N04 | C37 | H372 | 109.5° | 109.5° |
| N04 | C37 | H373 | 109.4° | 109.5° |
| N04 | S02 | C38 | 108.5° | 104.4° |
| S02 | C38 | H381 | 109.5° | 109.5° |
| S02 | C38 | H382 | 109.5° | 109.4° |
| S02 | C38 | H383 | 109.5° | 109.5° |
| C14 | C19 | H191 | 120.2° | 120.1° |
| N23 | C36 | H361 | 110.1° | 109.6° |
| N23 | C36 | H362 | 110.1° | 109.7° |
| C27 | C34 | H341 | 120.8° | 120.0° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.6° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.6° |
| H371 | C37 | H372 | 109.5° | 109.4° |
| H371 | C37 | H373 | 109.5° | 109.4° |
| H372 | C37 | H373 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H381 | C38 | H383 | 109.5° | 109.5° |
| H382 | C38 | H383 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | S02 | O03 | N04 | 121.2° | 116.7° |
| O01 | S02 | O03 | C38 | 118.1° | 131.6° |
| O01 | S02 | N04 | C05 | 31.2° | 26.1° |
| O01 | S02 | N04 | C37 | 157.8° | 153.9° |
| O01 | S02 | N04 | C38 | 119.6° | 116.1° |
| O01 | S02 | C38 | H381 | 180.0° | 171.6° |
| O01 | S02 | C38 | H382 | 60.0° | 68.4° |
| O01 | S02 | C38 | H383 | 60.0° | 51.6° |
| O03 | S02 | N04 | C05 | 150.8° | 153.9° |
| O03 | S02 | N04 | C37 | 38.3° | 26.0° |
| O03 | S02 | N04 | C38 | 120.8° | 116.0° |
| O03 | S02 | C38 | H381 | 63.6° | 51.6° |
| O03 | S02 | C38 | H382 | 56.5° | 68.4° |
| O03 | S02 | C38 | H383 | 176.4° | 171.6° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 1.2° | 0.0° |
| C06 | C05 | C10 | C09 | 1.9° | 0.0° |
| C06 | C05 | C10 | C11 | 178.0° | 179.7° |
| C06 | C05 | N04 | C10 | 179.4° | 180.0° |
| C06 | C05 | N04 | C37 | 65.2° | 85.0° |
| C06 | C05 | N04 | S02 | 105.9° | 95.0° |
| C05 | C06 | C07 | H071 | 178.8° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.5° | 0.0° |
| C07 | C06 | C05 | N04 | 179.5° | 180.0° |
| C07 | C06 | C05 | C10 | 0.1° | 0.0° |
| C06 | C07 | C08 | H081 | 179.5° | 179.9° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 1.3° | 0.0° |
| C08 | C07 | C06 | H061 | 178.8° | 180.0° |
| C07 | C08 | C09 | H091 | 178.7° | 179.9° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 178.8° | 179.7° |
| C08 | C09 | C10 | C05 | 2.5° | 0.0° |
| C09 | C08 | C07 | H071 | 179.4° | 180.0° |
| C09 | C10 | C11 | C05 | 176.2° | 179.7° |
| C09 | C10 | C11 | O12 | 130.4° | 180.0° |
| C09 | C10 | C11 | N13 | 48.7° | 0.0° |
| C09 | C10 | C05 | N04 | 178.7° | 180.0° |
| C10 | C09 | C08 | H081 | 178.7° | 179.9° |
| C10 | C11 | O12 | N13 | 179.0° | 179.9° |
| C10 | C11 | N13 | C14 | 176.0° | 175.4° |
| C11 | C10 | C05 | N04 | 2.6° | 0.3° |
| C11 | C10 | C09 | H091 | 1.2° | 0.4° |
| C10 | C11 | N13 | H131 | 3.9° | 4.6° |
| O12 | C11 | N13 | C14 | 4.9° | 4.7° |
| O12 | C11 | C10 | C05 | 53.4° | 0.3° |
| O12 | C11 | N13 | H131 | 175.2° | 175.4° |
| C11 | N13 | C14 | H131 | 180.0° | 180.0° |
| C11 | N13 | C14 | C15 | 156.5° | 35.1° |
| N13 | C11 | C10 | C05 | 127.5° | 179.7° |
| C11 | N13 | C14 | C19 | 18.4° | 144.9° |
| N13 | C14 | C15 | C19 | 175.1° | 180.0° |
| N13 | C14 | C15 | C16 | 177.6° | 179.8° |
| N13 | C14 | C19 | C18 | 176.7° | 180.0° |
| N13 | C14 | C15 | H151 | 2.5° | 0.0° |
| N13 | C14 | C19 | H191 | 3.3° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 1.2° | 0.0° |
| C15 | C14 | C19 | C18 | 2.1° | 0.0° |
| C14 | C15 | C16 | H161 | 178.8° | 180.0° |
| C15 | C14 | C19 | H191 | 177.9° | 180.0° |
| C15 | C14 | N13 | H131 | 23.5° | 145.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.4° | 0.5° |
| C15 | C16 | C17 | C20 | 177.9° | 179.9° |
| C16 | C15 | C14 | C19 | 2.5° | 0.2° |
| C16 | C17 | C18 | C19 | 0.9° | 0.8° |
| C16 | C17 | C18 | C20 | 177.3° | 179.6° |
| C16 | C17 | C20 | C21 | 128.9° | 90.0° |
| C17 | C16 | C15 | H151 | 178.8° | 179.8° |
| C16 | C17 | C20 | H201 | 7.9° | 150.0° |
| C16 | C17 | C20 | H202 | 110.1° | 29.9° |
| C16 | C17 | C18 | H181 | 179.2° | 179.9° |
| C19 | C18 | C17 | H181 | 180.0° | 179.2° |
| C19 | C18 | C17 | C20 | 178.2° | 179.7° |
| C18 | C19 | C14 | H191 | 180.0° | 180.0° |
| C18 | C17 | C20 | C21 | 53.7° | 89.5° |
| C17 | C18 | C19 | C14 | 0.4° | 0.5° |
| C18 | C17 | C20 | H201 | 174.7° | 30.4° |
| C18 | C17 | C20 | H202 | 67.3° | 150.5° |
| C18 | C17 | C16 | H161 | 179.6° | 179.5° |
| C17 | C18 | C19 | H191 | 179.6° | 179.5° |
| C17 | C20 | C21 | H201 | 121.0° | 120.0° |
| C17 | C20 | C21 | H202 | 121.0° | 120.0° |
| C17 | C20 | C21 | O22 | 101.7° | 0.0° |
| C17 | C20 | C21 | N23 | 81.7° | 180.0° |
| C17 | C20 | H201 | H202 | 116.8° | 120.1° |
| C20 | C17 | C16 | H161 | 2.1° | 0.1° |
| C20 | C17 | C18 | H181 | 1.9° | 0.5° |
| C20 | C21 | O22 | N23 | 176.5° | 179.9° |
| C20 | C21 | N23 | C24 | 178.8° | 180.0° |
| C20 | C21 | N23 | C36 | 4.9° | 0.0° |
| C21 | C20 | H201 | H202 | 116.9° | 120.0° |
| O22 | C21 | N23 | C24 | 2.0° | 0.0° |
| O22 | C21 | N23 | C36 | 178.3° | 179.9° |
| O22 | C21 | C20 | H201 | 137.3° | 120.0° |
| O22 | C21 | C20 | H202 | 19.3° | 120.0° |
| C21 | N23 | C24 | C36 | 176.4° | 180.0° |
| C21 | N23 | C24 | C25 | 112.0° | 128.8° |
| C21 | N23 | C36 | C35 | 119.2° | 128.8° |
| N23 | C21 | C20 | H201 | 39.3° | 60.0° |
| N23 | C21 | C20 | H202 | 157.3° | 60.0° |
| C21 | N23 | C24 | H241 | 128.3° | 9.0° |
| C21 | N23 | C24 | H242 | 7.7° | 111.3° |
| C21 | N23 | C36 | H361 | 121.2° | 111.4° |
| C21 | N23 | C36 | H362 | 0.4° | 9.0° |
| N23 | C24 | C25 | H241 | 119.7° | 119.7° |
| N23 | C24 | C25 | H242 | 119.7° | 119.8° |
| N23 | C24 | C25 | N26 | 60.4° | 53.8° |
| C24 | N23 | C36 | C35 | 57.2° | 51.2° |
| N23 | C24 | H241 | H242 | 120.8° | 120.3° |
| N23 | C24 | C25 | H251 | 179.8° | 173.8° |
| N23 | C24 | C25 | H252 | 59.0° | 66.2° |
| C24 | N23 | C36 | H361 | 62.4° | 68.6° |
| C24 | N23 | C36 | H362 | 176.8° | 170.9° |
| C24 | C25 | N26 | H251 | 119.4° | 120.0° |
| C24 | C25 | N26 | H252 | 119.4° | 120.0° |
| C24 | C25 | N26 | C27 | 154.8° | 172.7° |
| C24 | C25 | N26 | C35 | 60.5° | 63.1° |
| C25 | C24 | N23 | C36 | 64.3° | 51.2° |
| C25 | C24 | H241 | H242 | 120.9° | 120.6° |
| C24 | C25 | H251 | H252 | 121.8° | 120.1° |
| C25 | N26 | C27 | C28 | 171.6° | 55.7° |
| C25 | N26 | C27 | C35 | 140.8° | 124.3° |
| C25 | N26 | C35 | C36 | 56.7° | 63.1° |
| C25 | N26 | C27 | C34 | 8.0° | 124.3° |
| N26 | C25 | C24 | H241 | 59.3° | 173.5° |
| N26 | C25 | C24 | H242 | 179.9° | 66.0° |
| N26 | C25 | H251 | H252 | 121.8° | 120.1° |
| C25 | N26 | C35 | H351 | 176.9° | 56.8° |
| C25 | N26 | C35 | H352 | 63.5° | 176.9° |
| C27 | C28 | C29 | H281 | 180.0° | 179.7° |
| C27 | C28 | C29 | CL30 | 178.7° | 180.0° |
| C27 | C28 | C29 | C31 | 0.0° | 0.0° |
| C28 | C27 | C34 | C32 | 0.1° | 0.5° |
| C28 | C27 | N26 | C34 | 179.6° | 180.0° |
| C28 | C27 | N26 | C35 | 47.6° | 180.0° |
| C28 | C27 | C34 | H341 | 179.9° | 179.9° |
| C28 | C29 | CL30 | C31 | 178.7° | 179.9° |
| C28 | C29 | C31 | C32 | 0.2° | 0.1° |
| C29 | C28 | C27 | N26 | 179.4° | 179.8° |
| C29 | C28 | C27 | C34 | 0.1° | 0.2° |
| C28 | C29 | C31 | H311 | 179.8° | 180.0° |
| CL30 | C29 | C31 | C32 | 178.8° | 180.0° |
| CL30 | C29 | C28 | H281 | 1.4° | 0.2° |
| CL30 | C29 | C31 | H311 | 1.2° | 0.0° |
| C29 | C31 | C32 | H311 | 180.0° | 180.0° |
| C29 | C31 | C32 | CL33 | 179.0° | 180.0° |
| C29 | C31 | C32 | C34 | 0.3° | 0.2° |
| C31 | C29 | C28 | H281 | 180.0° | 179.7° |
| C31 | C32 | CL33 | C34 | 178.7° | 179.8° |
| C31 | C32 | C34 | C27 | 0.2° | 0.5° |
| C31 | C32 | C34 | H341 | 179.8° | 180.0° |
| CL33 | C32 | C34 | C27 | 178.9° | 179.8° |
| CL33 | C32 | C31 | H311 | 1.0° | 0.0° |
| CL33 | C32 | C34 | H341 | 1.1° | 0.2° |
| C32 | C34 | C27 | N26 | 179.5° | 179.6° |
| C32 | C34 | C27 | H341 | 180.0° | 179.6° |
| C34 | C32 | C31 | H311 | 179.7° | 179.8° |
| C27 | N26 | C35 | C36 | 161.4° | 172.7° |
| N26 | C27 | C28 | H281 | 0.6° | 0.1° |
| C27 | N26 | C25 | H251 | 35.4° | 52.8° |
| C27 | N26 | C25 | H252 | 85.8° | 67.3° |
| N26 | C27 | C34 | H341 | 0.5° | 0.0° |
| C27 | N26 | C35 | H351 | 41.2° | 67.3° |
| C27 | N26 | C35 | H352 | 78.4° | 52.7° |
| N26 | C35 | C36 | H351 | 120.2° | 120.0° |
| N26 | C35 | C36 | H352 | 120.2° | 120.0° |
| N26 | C35 | C36 | N23 | 50.1° | 53.8° |
| C35 | N26 | C27 | C34 | 132.9° | 0.1° |
| C35 | N26 | C25 | H251 | 179.9° | 176.9° |
| C35 | N26 | C25 | H252 | 58.9° | 56.9° |
| N26 | C35 | H351 | H352 | 119.4° | 120.1° |
| N26 | C35 | C36 | H361 | 69.5° | 65.9° |
| N26 | C35 | C36 | H362 | 169.7° | 173.7° |
| C35 | C36 | N23 | H361 | 119.6° | 119.8° |
| C35 | C36 | N23 | H362 | 119.6° | 119.8° |
| C36 | C35 | H351 | H352 | 119.4° | 120.0° |
| C35 | C36 | H361 | H362 | 121.2° | 120.4° |
| C05 | N04 | C37 | S02 | 170.9° | 180.0° |
| C05 | N04 | S02 | C38 | 88.4° | 90.0° |
| N04 | C05 | C06 | H061 | 0.5° | 0.0° |
| C05 | N04 | C37 | H371 | 180.0° | 90.0° |
| C05 | N04 | C37 | H372 | 60.0° | 150.0° |
| C05 | N04 | C37 | H373 | 60.0° | 30.0° |
| C37 | N04 | S02 | C38 | 82.6° | 90.0° |
| C37 | N04 | C05 | C10 | 114.2° | 95.0° |
| N04 | C37 | H371 | H372 | 120.0° | 120.1° |
| N04 | C37 | H371 | H373 | 120.0° | 120.0° |
| N04 | C37 | H372 | H373 | 120.0° | 120.1° |
| S02 | N04 | C05 | C10 | 74.7° | 85.0° |
| S02 | N04 | C37 | H371 | 9.2° | 90.0° |
| S02 | N04 | C37 | H372 | 110.9° | 30.0° |
| S02 | N04 | C37 | H373 | 129.2° | 150.0° |
| N04 | S02 | C38 | H381 | 60.2° | 60.0° |
| N04 | S02 | C38 | H382 | 179.7° | 180.0° |
| N04 | S02 | C38 | H383 | 59.8° | 60.0° |
| S02 | C38 | H381 | H382 | 120.0° | 119.9° |
| S02 | C38 | H381 | H383 | 120.0° | 120.0° |
| S02 | C38 | H382 | H383 | 120.0° | 120.0° |
| C10 | C05 | C06 | H061 | 179.9° | 180.0° |
| C05 | C10 | C09 | H091 | 177.4° | 179.9° |
| C19 | C14 | C15 | H151 | 177.5° | 180.0° |
| C14 | C19 | C18 | H181 | 179.6° | 179.7° |
| C19 | C14 | N13 | H131 | 161.6° | 35.1° |
| C36 | N23 | C24 | H241 | 55.4° | 170.9° |
| C36 | N23 | C24 | H242 | 175.9° | 68.8° |
| N23 | C36 | C35 | H351 | 170.2° | 66.2° |
| N23 | C36 | C35 | H352 | 70.1° | 173.9° |
| N23 | C36 | H361 | H362 | 121.2° | 120.5° |
| C34 | C27 | C28 | H281 | 179.8° | 180.0° |
| H151 | C15 | C16 | H161 | 1.2° | 0.2° |
| H241 | C24 | C25 | H251 | 60.1° | 66.5° |
| H241 | C24 | C25 | H252 | 178.7° | 53.5° |
| H242 | C24 | C25 | H251 | 60.5° | 54.0° |
| H242 | C24 | C25 | H252 | 60.7° | 174.0° |
| H061 | C06 | C07 | H071 | 1.2° | 0.1° |
| H071 | C07 | C08 | H081 | 0.6° | 0.0° |
| H081 | C08 | C09 | H091 | 1.3° | 0.0° |
| H181 | C18 | C19 | H191 | 0.4° | 0.3° |
| H351 | C35 | C36 | H361 | 50.7° | 174.1° |
| H351 | C35 | C36 | H362 | 70.1° | 53.7° |
| H352 | C35 | C36 | H361 | 170.3° | 54.1° |
| H352 | C35 | C36 | H362 | 49.5° | 66.3° |
| H371 | C37 | H372 | H373 | 120.0° | 119.9° |
| H381 | C38 | H382 | H383 | 120.0° | 120.0° |
