5W2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | N16 | sing | 1.40Å | 1.37Å | |
| C17 | N16 | sing | 1.39Å | 1.37Å | |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | N41 | sing | 1.33Å | 1.36Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | N21 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | N21 | sing | 1.33Å | 1.34Å | Aromatic |
| C22 | N23 | sing | 1.39Å | 1.35Å | |
| C22 | N41 | doub | 1.32Å | 1.36Å | Aromatic |
| C24 | N23 | sing | 1.39Å | 1.36Å | |
| C24 | C25 | doub | 1.39Å | 1.43Å | Aromatic |
| C24 | C40 | sing | 1.39Å | 1.45Å | Aromatic |
| C26 | C28 | doub | 1.40Å | 1.44Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| C26 | F27 | sing | 1.35Å | 1.35Å | |
| C28 | C29 | sing | 1.47Å | 1.45Å | |
| C28 | C39 | sing | 1.40Å | 1.42Å | Aromatic |
| CL1 | C02 | sing | 1.74Å | 1.71Å | |
| C02 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| C03 | N04 | sing | 1.40Å | 1.37Å | |
| C03 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| N04 | S05 | sing | 1.66Å | 1.69Å | |
| S05 | C06 | sing | 1.81Å | 1.81Å | |
| S05 | O10 | doub | 1.42Å | 1.56Å | |
| S05 | O11 | doub | 1.42Å | 1.56Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C06 | C08 | sing | 1.53Å | 1.55Å | |
| C06 | C09 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.51Å | 1.48Å | |
| C29 | N30 | sing | 1.35Å | 1.39Å | |
| C29 | O38 | doub | 1.22Å | 1.25Å | |
| N30 | C31 | sing | 1.47Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.56Å | |
| C31 | C37 | sing | 1.53Å | 1.56Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | N34 | sing | 1.47Å | 1.50Å | |
| N34 | C35 | sing | 1.47Å | 1.49Å | |
| N34 | C36 | sing | 1.47Å | 1.50Å | |
| C36 | C37 | sing | 1.53Å | 1.56Å | |
| C39 | C40 | doub | 1.37Å | 1.40Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | 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 | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C13 | C14 | 119.9° | 120.1° |
| C13 | C02 | CL1 | 118.6° | 120.0° |
| C13 | C02 | C03 | 120.6° | 120.1° |
| C02 | C13 | H131 | 120.1° | 119.9° |
| C13 | C14 | C15 | 120.1° | 120.1° |
| C14 | C13 | H131 | 120.1° | 120.0° |
| C13 | C14 | H141 | 119.9° | 120.0° |
| C12 | C15 | C14 | 119.3° | 120.0° |
| C12 | C15 | N16 | 123.2° | 120.0° |
| C15 | C12 | C03 | 121.6° | 119.9° |
| C15 | C12 | H121 | 119.2° | 120.1° |
| C14 | C15 | N16 | 117.5° | 120.0° |
| C15 | C14 | H141 | 119.9° | 119.9° |
| C15 | N16 | C17 | 126.4° | 120.0° |
| C15 | N16 | H161 | 116.8° | 120.0° |
| N16 | C17 | C18 | 120.3° | 120.5° |
| N16 | C17 | N41 | 120.9° | 120.5° |
| C17 | N16 | H161 | 116.8° | 120.0° |
| C18 | C17 | N41 | 118.8° | 119.0° |
| C17 | C18 | C20 | 117.0° | 118.5° |
| C17 | C18 | C19 | 124.4° | 120.7° |
| C17 | N41 | C22 | 122.4° | 120.6° |
| C18 | C20 | N21 | 120.8° | 119.3° |
| C20 | C18 | C19 | 118.6° | 120.7° |
| C18 | C20 | H201 | 119.6° | 120.4° |
| C20 | N21 | C22 | 121.9° | 120.9° |
| N21 | C20 | H201 | 119.6° | 120.3° |
| N21 | C22 | N23 | 121.9° | 119.2° |
| N21 | C22 | N41 | 119.0° | 121.6° |
| N23 | C22 | N41 | 119.0° | 119.2° |
| C22 | N23 | C24 | 132.0° | 120.0° |
| C22 | N23 | H231 | 113.9° | 120.0° |
| N23 | C24 | C25 | 123.8° | 119.9° |
| N23 | C24 | C40 | 112.6° | 119.9° |
| C24 | N23 | H231 | 114.0° | 120.0° |
| C25 | C24 | C40 | 123.6° | 120.1° |
| C24 | C25 | C26 | 117.0° | 119.9° |
| C24 | C25 | H251 | 121.5° | 120.0° |
| C24 | C40 | C39 | 116.6° | 120.3° |
| C24 | C40 | H401 | 121.7° | 119.9° |
| C28 | C26 | C25 | 121.0° | 119.7° |
| C28 | C26 | F27 | 119.1° | 120.1° |
| C26 | C28 | C29 | 123.8° | 120.1° |
| C26 | C28 | C39 | 118.6° | 119.8° |
| C25 | C26 | F27 | 119.9° | 120.1° |
| C26 | C25 | H251 | 121.5° | 120.1° |
| C29 | C28 | C39 | 117.6° | 120.1° |
| C28 | C29 | N30 | 119.5° | 120.0° |
| C28 | C29 | O38 | 118.6° | 120.0° |
| C28 | C39 | C40 | 123.3° | 120.0° |
| C28 | C39 | H391 | 118.4° | 120.0° |
| CL1 | C02 | C03 | 120.8° | 119.9° |
| C02 | C03 | N04 | 119.2° | 120.0° |
| C02 | C03 | C12 | 118.5° | 119.9° |
| N04 | C03 | C12 | 122.2° | 120.1° |
| C03 | N04 | S05 | 126.6° | 119.9° |
| C03 | N04 | H041 | 105.0° | 120.0° |
| C03 | C12 | H121 | 119.2° | 120.0° |
| N04 | S05 | C06 | 108.1° | 104.5° |
| N04 | S05 | O10 | 105.2° | 104.2° |
| N04 | S05 | O11 | 109.7° | 104.3° |
| S05 | N04 | H041 | 105.0° | 120.0° |
| C06 | S05 | O10 | 108.7° | 110.5° |
| C06 | S05 | O11 | 110.9° | 110.6° |
| S05 | C06 | C07 | 107.5° | 109.5° |
| S05 | C06 | C08 | 106.3° | 109.5° |
| S05 | C06 | C09 | 109.5° | 109.5° |
| O10 | S05 | O11 | 113.8° | 121.0° |
| C07 | C06 | C08 | 111.4° | 109.5° |
| C07 | C06 | C09 | 110.7° | 109.5° |
| C06 | C07 | H071 | 109.5° | 109.5° |
| C06 | C07 | H072 | 109.4° | 109.5° |
| C06 | C07 | H073 | 109.4° | 109.5° |
| C08 | C06 | C09 | 111.3° | 109.4° |
| C06 | C08 | H081 | 109.5° | 109.4° |
| C06 | C08 | H082 | 109.5° | 109.5° |
| C06 | C08 | H083 | 109.5° | 109.4° |
| C06 | C09 | H091 | 109.5° | 109.4° |
| C06 | C09 | H092 | 109.5° | 109.5° |
| C06 | C09 | H093 | 109.5° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.4° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| N30 | C29 | O38 | 120.9° | 120.1° |
| C29 | N30 | C31 | 132.7° | 120.0° |
| C29 | N30 | H301 | 113.7° | 120.0° |
| N30 | C31 | C32 | 115.4° | 109.5° |
| N30 | C31 | C37 | 111.0° | 109.5° |
| C31 | N30 | H301 | 113.6° | 120.0° |
| N30 | C31 | H311 | 107.7° | 109.5° |
| C32 | C31 | C37 | 109.3° | 109.2° |
| C31 | C32 | C33 | 108.4° | 109.2° |
| C32 | C31 | H311 | 106.5° | 109.5° |
| C31 | C32 | H321 | 109.7° | 109.5° |
| C31 | C32 | H322 | 109.7° | 109.5° |
| C31 | C37 | C36 | 110.3° | 109.3° |
| C37 | C31 | H311 | 106.4° | 109.6° |
| C31 | C37 | H371 | 109.2° | 109.5° |
| C31 | C37 | H372 | 109.2° | 109.5° |
| C32 | C33 | N34 | 112.7° | 109.5° |
| C33 | C32 | H321 | 109.7° | 109.5° |
| C33 | C32 | H322 | 109.7° | 109.5° |
| C32 | C33 | H331 | 108.7° | 109.4° |
| C32 | C33 | H332 | 108.6° | 109.4° |
| C33 | N34 | C35 | 114.6° | 111.0° |
| C33 | N34 | C36 | 115.1° | 111.2° |
| N34 | C33 | H331 | 108.6° | 109.4° |
| N34 | C33 | H332 | 108.6° | 109.5° |
| C35 | N34 | C36 | 116.3° | 111.0° |
| N34 | C35 | H351 | 109.5° | 109.5° |
| N34 | C35 | H352 | 109.5° | 109.5° |
| N34 | C35 | H353 | 109.5° | 109.4° |
| N34 | C36 | C37 | 113.1° | 109.5° |
| N34 | C36 | H361 | 108.6° | 109.5° |
| N34 | C36 | H362 | 108.6° | 109.4° |
| C37 | C36 | H361 | 108.6° | 109.5° |
| C37 | C36 | H362 | 108.6° | 109.5° |
| C36 | C37 | H371 | 109.2° | 109.5° |
| C36 | C37 | H372 | 109.3° | 109.4° |
| C40 | C39 | H391 | 118.3° | 120.0° |
| C39 | C40 | H401 | 121.7° | 119.8° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H071 | C07 | H073 | 109.4° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H082 | C08 | H083 | 109.4° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.4° |
| H092 | C09 | H093 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.6° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.4° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.4° |
| H371 | C37 | H372 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C13 | C14 | H131 | 180.0° | 179.7° |
| C02 | C13 | C14 | C15 | 1.3° | 0.0° |
| C13 | C02 | CL1 | C03 | 177.9° | 180.0° |
| C13 | C02 | C03 | N04 | 179.6° | 179.9° |
| C13 | C02 | C03 | C12 | 0.8° | 0.0° |
| C02 | C13 | C14 | H141 | 178.8° | 180.0° |
| C13 | C14 | C15 | C12 | 0.0° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | N16 | 179.0° | 179.9° |
| C14 | C13 | C02 | CL1 | 179.6° | 179.9° |
| C14 | C13 | C02 | C03 | 1.7° | 0.0° |
| C12 | C15 | C14 | N16 | 179.0° | 179.9° |
| C12 | C15 | N16 | C17 | 22.1° | 151.3° |
| C15 | C12 | C03 | C02 | 0.5° | 0.0° |
| C15 | C12 | C03 | N04 | 179.0° | 179.9° |
| C15 | C12 | C03 | H121 | 180.0° | 180.0° |
| C12 | C15 | C14 | H141 | 179.9° | 180.0° |
| C12 | C15 | N16 | H161 | 157.8° | 28.7° |
| C14 | C15 | N16 | C17 | 158.9° | 28.6° |
| C14 | C15 | C12 | C03 | 0.9° | 0.0° |
| C15 | C14 | C13 | H131 | 178.7° | 179.7° |
| C14 | C15 | C12 | H121 | 179.1° | 180.0° |
| C14 | C15 | N16 | H161 | 21.1° | 151.3° |
| C15 | N16 | C17 | H161 | 180.0° | 179.9° |
| C15 | N16 | C17 | C18 | 168.3° | 175.4° |
| C15 | N16 | C17 | N41 | 13.4° | 4.3° |
| N16 | C15 | C12 | C03 | 179.9° | 179.9° |
| N16 | C15 | C12 | H121 | 0.1° | 0.1° |
| N16 | C15 | C14 | H141 | 0.9° | 0.1° |
| N16 | C17 | C18 | N41 | 178.3° | 179.7° |
| N16 | C17 | C18 | C20 | 179.4° | 180.0° |
| N16 | C17 | N41 | C22 | 179.9° | 180.0° |
| N16 | C17 | C18 | C19 | 1.0° | 0.0° |
| C17 | C18 | C20 | C19 | 179.7° | 179.9° |
| C17 | C18 | C20 | N21 | 0.5° | 0.0° |
| C18 | C17 | N41 | C22 | 1.7° | 0.3° |
| C17 | C18 | C20 | H201 | 179.4° | 180.0° |
| C18 | C17 | N16 | H161 | 11.6° | 4.5° |
| C17 | C18 | C19 | H191 | 90.2° | 90.0° |
| C17 | C18 | C19 | H192 | 149.8° | 150.0° |
| C17 | C18 | C19 | H193 | 29.8° | 30.0° |
| N41 | C17 | C18 | C20 | 1.1° | 0.3° |
| C17 | N41 | C22 | N21 | 0.6° | 0.0° |
| C17 | N41 | C22 | N23 | 177.3° | 179.8° |
| N41 | C17 | C18 | C19 | 179.3° | 179.8° |
| N41 | C17 | N16 | H161 | 166.6° | 175.8° |
| C18 | C20 | N21 | H201 | 180.0° | 180.0° |
| C18 | C20 | N21 | C22 | 1.7° | 0.2° |
| C20 | C18 | C19 | H191 | 90.2° | 90.1° |
| C20 | C18 | C19 | H192 | 29.8° | 29.9° |
| C20 | C18 | C19 | H193 | 149.8° | 150.0° |
| C20 | N21 | C22 | N23 | 179.0° | 180.0° |
| C20 | N21 | C22 | N41 | 1.2° | 0.3° |
| N21 | C20 | C18 | C19 | 179.1° | 180.0° |
| N21 | C22 | N23 | N41 | 177.8° | 179.8° |
| N21 | C22 | N23 | C24 | 175.5° | 3.1° |
| C22 | N21 | C20 | H201 | 178.3° | 179.7° |
| N21 | C22 | N23 | H231 | 4.5° | 176.9° |
| C22 | N23 | C24 | H231 | 180.0° | 180.0° |
| C22 | N23 | C24 | C25 | 7.6° | 144.3° |
| C22 | N23 | C24 | C40 | 175.2° | 36.0° |
| N41 | C22 | N23 | C24 | 6.7° | 177.1° |
| N41 | C22 | N23 | H231 | 173.3° | 2.9° |
| N23 | C24 | C25 | C40 | 176.9° | 179.7° |
| N23 | C24 | C25 | C26 | 178.4° | 180.0° |
| N23 | C24 | C40 | C39 | 178.6° | 180.0° |
| N23 | C24 | C25 | H251 | 1.6° | 0.0° |
| N23 | C24 | C40 | H401 | 1.4° | 0.1° |
| C24 | C25 | C26 | C28 | 0.9° | 0.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | F27 | 179.5° | 179.8° |
| C25 | C24 | C40 | C39 | 1.4° | 0.3° |
| C25 | C24 | N23 | H231 | 172.4° | 35.8° |
| C25 | C24 | C40 | H401 | 178.6° | 179.8° |
| C40 | C24 | C25 | C26 | 1.5° | 0.3° |
| C24 | C40 | C39 | C28 | 0.7° | 0.1° |
| C24 | C40 | C39 | H401 | 180.0° | 179.9° |
| C40 | C24 | N23 | H231 | 4.8° | 143.9° |
| C40 | C24 | C25 | H251 | 178.5° | 179.7° |
| C24 | C40 | C39 | H391 | 179.3° | 179.8° |
| C28 | C26 | C25 | F27 | 178.6° | 179.8° |
| C26 | C28 | C29 | C39 | 179.1° | 179.7° |
| C26 | C28 | C29 | N30 | 143.0° | 180.0° |
| C26 | C28 | C29 | O38 | 25.9° | 0.1° |
| C26 | C28 | C39 | C40 | 0.2° | 0.2° |
| C28 | C26 | C25 | H251 | 179.1° | 180.0° |
| C26 | C28 | C39 | H391 | 179.8° | 179.9° |
| C25 | C26 | C28 | C29 | 178.8° | 180.0° |
| C25 | C26 | C28 | C39 | 0.3° | 0.3° |
| F27 | C26 | C28 | C29 | 0.2° | 0.3° |
| F27 | C26 | C28 | C39 | 178.9° | 180.0° |
| F27 | C26 | C25 | H251 | 0.5° | 0.2° |
| C28 | C29 | N30 | O38 | 168.6° | 179.9° |
| C28 | C29 | N30 | C31 | 170.7° | 180.0° |
| C29 | C28 | C39 | C40 | 178.9° | 179.9° |
| C28 | C29 | N30 | H301 | 9.3° | 0.0° |
| C29 | C28 | C39 | H391 | 1.1° | 0.2° |
| C39 | C28 | C29 | N30 | 36.1° | 0.3° |
| C39 | C28 | C29 | O38 | 155.0° | 179.8° |
| C28 | C39 | C40 | H391 | 180.0° | 179.8° |
| C28 | C39 | C40 | H401 | 179.3° | 180.0° |
| CL1 | C02 | C03 | N04 | 1.8° | 0.0° |
| CL1 | C02 | C03 | C12 | 178.7° | 179.9° |
| CL1 | C02 | C13 | H131 | 0.4° | 0.2° |
| C02 | C03 | N04 | C12 | 179.5° | 179.9° |
| C02 | C03 | N04 | S05 | 141.3° | 144.4° |
| C03 | C02 | C13 | H131 | 178.3° | 179.7° |
| C02 | C03 | N04 | H041 | 96.4° | 35.6° |
| C02 | C03 | C12 | H121 | 179.5° | 180.0° |
| C03 | N04 | S05 | H041 | 122.3° | 180.0° |
| C03 | N04 | S05 | C06 | 78.5° | 64.2° |
| C03 | N04 | S05 | O10 | 165.5° | 179.8° |
| C03 | N04 | S05 | O11 | 42.7° | 51.9° |
| N04 | C03 | C12 | H121 | 1.0° | 0.1° |
| C12 | C03 | N04 | S05 | 39.2° | 35.7° |
| C12 | C03 | N04 | H041 | 83.1° | 144.3° |
| N04 | S05 | C06 | O10 | 113.8° | 111.6° |
| N04 | S05 | C06 | O11 | 120.4° | 111.7° |
| N04 | S05 | O10 | O11 | 120.2° | 116.8° |
| N04 | S05 | C06 | C07 | 58.5° | 60.0° |
| N04 | S05 | C06 | C08 | 178.0° | 180.0° |
| N04 | S05 | C06 | C09 | 61.8° | 60.1° |
| C06 | S05 | O10 | O11 | 124.2° | 131.5° |
| S05 | C06 | C07 | C08 | 116.1° | 120.0° |
| S05 | C06 | C07 | C09 | 119.6° | 120.0° |
| S05 | C06 | C08 | C09 | 119.1° | 120.0° |
| C06 | S05 | N04 | H041 | 159.2° | 115.8° |
| S05 | C06 | C07 | H071 | 180.0° | 60.0° |
| S05 | C06 | C07 | H072 | 60.0° | 180.0° |
| S05 | C06 | C07 | H073 | 60.0° | 60.0° |
| S05 | C06 | C08 | H081 | 180.0° | 60.0° |
| S05 | C06 | C08 | H082 | 60.0° | 180.0° |
| S05 | C06 | C08 | H083 | 60.0° | 60.0° |
| S05 | C06 | C09 | H091 | 180.0° | 60.0° |
| S05 | C06 | C09 | H092 | 60.0° | 180.0° |
| S05 | C06 | C09 | H093 | 60.0° | 59.9° |
| O10 | S05 | C06 | C07 | 55.2° | 51.6° |
| O10 | S05 | C06 | C08 | 64.2° | 68.4° |
| O10 | S05 | C06 | C09 | 175.5° | 171.6° |
| O10 | S05 | N04 | H041 | 43.2° | 0.2° |
| O11 | S05 | C06 | C07 | 178.9° | 171.6° |
| O11 | S05 | C06 | C08 | 61.7° | 68.3° |
| O11 | S05 | C06 | C09 | 58.6° | 51.6° |
| O11 | S05 | N04 | H041 | 79.6° | 128.1° |
| C07 | C06 | C08 | C09 | 124.0° | 120.0° |
| C06 | C07 | H071 | H072 | 120.0° | 120.0° |
| C06 | C07 | H071 | H073 | 120.0° | 120.0° |
| C06 | C07 | H072 | H073 | 120.0° | 120.0° |
| C07 | C06 | C08 | H081 | 63.2° | 180.0° |
| C07 | C06 | C08 | H082 | 176.8° | 60.0° |
| C07 | C06 | C08 | H083 | 56.8° | 60.0° |
| C07 | C06 | C09 | H091 | 61.7° | 60.0° |
| C07 | C06 | C09 | H092 | 58.4° | 60.0° |
| C07 | C06 | C09 | H093 | 178.4° | 180.0° |
| C08 | C06 | C07 | H071 | 64.0° | 60.0° |
| C08 | C06 | C07 | H072 | 56.1° | 60.0° |
| C08 | C06 | C07 | H073 | 176.1° | 180.0° |
| C06 | C08 | H081 | H082 | 120.0° | 120.0° |
| C06 | C08 | H081 | H083 | 120.0° | 119.9° |
| C06 | C08 | H082 | H083 | 120.0° | 119.9° |
| C08 | C06 | C09 | H091 | 62.8° | 180.0° |
| C08 | C06 | C09 | H092 | 177.2° | 60.0° |
| C08 | C06 | C09 | H093 | 57.2° | 60.0° |
| C09 | C06 | C07 | H071 | 60.4° | 180.0° |
| C09 | C06 | C07 | H072 | 179.5° | 60.0° |
| C09 | C06 | C07 | H073 | 59.6° | 60.0° |
| C09 | C06 | C08 | H081 | 60.9° | 60.0° |
| C09 | C06 | C08 | H082 | 59.1° | 60.0° |
| C09 | C06 | C08 | H083 | 179.1° | 180.0° |
| C06 | C09 | H091 | H092 | 120.0° | 120.0° |
| C06 | C09 | H091 | H093 | 120.0° | 120.0° |
| C06 | C09 | H092 | H093 | 120.0° | 120.0° |
| C19 | C18 | C20 | H201 | 0.9° | 0.1° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 119.9° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C29 | N30 | C31 | H301 | 180.0° | 180.0° |
| C29 | N30 | C31 | C32 | 23.3° | 155.0° |
| C29 | N30 | C31 | C37 | 101.7° | 85.3° |
| C29 | N30 | C31 | H311 | 142.1° | 34.9° |
| O38 | C29 | N30 | C31 | 2.1° | 0.1° |
| O38 | C29 | N30 | H301 | 177.9° | 179.9° |
| N30 | C31 | C32 | C37 | 125.9° | 119.9° |
| N30 | C31 | C32 | H311 | 119.5° | 120.1° |
| N30 | C31 | C37 | H311 | 117.0° | 120.2° |
| N30 | C31 | C32 | C33 | 172.9° | 177.6° |
| N30 | C31 | C37 | C36 | 172.6° | 177.5° |
| N30 | C31 | C32 | H321 | 67.2° | 57.6° |
| N30 | C31 | C32 | H322 | 53.1° | 62.5° |
| N30 | C31 | C37 | H371 | 52.5° | 62.5° |
| N30 | C31 | C37 | H372 | 67.3° | 57.6° |
| C32 | C31 | C37 | H311 | 114.7° | 119.9° |
| C31 | C32 | C33 | H321 | 119.8° | 119.9° |
| C31 | C32 | C33 | H322 | 119.8° | 119.9° |
| C31 | C32 | C33 | N34 | 56.4° | 59.2° |
| C32 | C31 | C37 | C36 | 59.0° | 57.6° |
| C32 | C31 | N30 | H301 | 156.7° | 25.0° |
| C31 | C32 | H321 | H322 | 120.5° | 120.1° |
| C31 | C32 | C33 | H331 | 176.9° | 179.2° |
| C31 | C32 | C33 | H332 | 64.1° | 60.9° |
| C32 | C31 | C37 | H371 | 179.1° | 177.6° |
| C32 | C31 | C37 | H372 | 61.1° | 62.2° |
| C37 | C31 | C32 | C33 | 61.1° | 57.7° |
| C31 | C37 | C36 | N34 | 51.2° | 59.1° |
| C31 | C37 | C36 | H371 | 120.1° | 120.0° |
| C31 | C37 | C36 | H372 | 120.1° | 119.9° |
| C37 | C31 | N30 | H301 | 78.3° | 94.7° |
| C37 | C31 | C32 | H321 | 58.7° | 62.3° |
| C37 | C31 | C32 | H322 | 179.0° | 177.6° |
| C31 | C37 | C36 | H361 | 171.7° | 179.2° |
| C31 | C37 | C36 | H362 | 69.4° | 60.8° |
| C31 | C37 | H371 | H372 | 119.6° | 120.2° |
| C32 | C33 | N34 | H331 | 120.5° | 119.9° |
| C32 | C33 | N34 | H332 | 120.5° | 120.0° |
| C32 | C33 | N34 | C35 | 171.1° | 174.2° |
| C32 | C33 | N34 | C36 | 50.0° | 61.8° |
| C33 | C32 | C31 | H311 | 53.5° | 62.3° |
| C33 | C32 | H321 | H322 | 120.5° | 120.2° |
| C32 | C33 | H331 | H332 | 118.5° | 119.9° |
| C33 | N34 | C35 | C36 | 138.4° | 124.2° |
| C33 | N34 | C36 | C37 | 47.0° | 61.7° |
| N34 | C33 | C32 | H321 | 63.4° | 60.7° |
| N34 | C33 | C32 | H322 | 176.2° | 179.1° |
| N34 | C33 | H331 | H332 | 118.5° | 120.0° |
| C33 | N34 | C35 | H351 | 180.0° | 60.0° |
| C33 | N34 | C35 | H352 | 60.0° | 180.0° |
| C33 | N34 | C35 | H353 | 60.0° | 60.1° |
| C33 | N34 | C36 | H361 | 167.5° | 178.2° |
| C33 | N34 | C36 | H362 | 73.6° | 58.3° |
| C35 | N34 | C36 | C37 | 174.9° | 174.2° |
| C35 | N34 | C33 | H331 | 50.6° | 54.2° |
| C35 | N34 | C33 | H332 | 68.4° | 65.8° |
| N34 | C35 | H351 | H352 | 120.0° | 120.0° |
| N34 | C35 | H351 | H353 | 120.0° | 120.0° |
| N34 | C35 | H352 | H353 | 120.0° | 119.9° |
| C35 | N34 | C36 | H361 | 54.4° | 54.2° |
| C35 | N34 | C36 | H362 | 64.6° | 65.8° |
| N34 | C36 | C37 | H361 | 120.5° | 120.1° |
| N34 | C36 | C37 | H362 | 120.5° | 120.0° |
| C36 | N34 | C33 | H331 | 170.5° | 178.3° |
| C36 | N34 | C33 | H332 | 70.5° | 58.3° |
| C36 | N34 | C35 | H351 | 41.6° | 64.2° |
| C36 | N34 | C35 | H352 | 161.7° | 55.8° |
| C36 | N34 | C35 | H353 | 78.3° | 175.8° |
| N34 | C36 | H361 | H362 | 118.4° | 119.9° |
| N34 | C36 | C37 | H371 | 171.3° | 179.1° |
| N34 | C36 | C37 | H372 | 69.0° | 60.8° |
| C36 | C37 | C31 | H311 | 55.6° | 62.3° |
| C37 | C36 | H361 | H362 | 118.4° | 120.0° |
| C36 | C37 | H371 | H372 | 119.6° | 120.0° |
| H131 | C13 | C14 | H141 | 1.3° | 0.3° |
| H071 | C07 | H072 | H073 | 120.0° | 120.0° |
| H081 | C08 | H082 | H083 | 120.0° | 120.1° |
| H091 | C09 | H092 | H093 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H301 | N30 | C31 | H311 | 37.9° | 145.1° |
| H311 | C31 | C32 | H321 | 173.3° | 177.8° |
| H311 | C31 | C32 | H322 | 66.4° | 57.6° |
| H311 | C31 | C37 | H371 | 64.5° | 57.6° |
| H311 | C31 | C37 | H372 | 175.8° | 177.8° |
| H321 | C32 | C33 | H331 | 57.0° | 59.3° |
| H321 | C32 | C33 | H332 | 176.1° | 179.3° |
| H322 | C32 | C33 | H331 | 63.3° | 60.9° |
| H322 | C32 | C33 | H332 | 55.8° | 59.1° |
| H351 | C35 | H352 | H353 | 119.9° | 120.0° |
| H361 | C36 | C37 | H371 | 68.2° | 60.8° |
| H361 | C36 | C37 | H372 | 51.6° | 59.3° |
| H362 | C36 | C37 | H371 | 50.7° | 59.1° |
| H362 | C36 | C37 | H372 | 170.5° | 179.2° |
| H391 | C39 | C40 | H401 | 0.7° | 0.2° |
