A1JVS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | F01 | sing | 1.35Å | 1.34Å | |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.57Å | |
| N10 | C08 | sing | 1.47Å | 1.49Å | |
| C11 | C08 | sing | 1.51Å | 1.51Å | |
| N13 | C12 | doub | 1.32Å | 1.35Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| N15 | C14 | sing | 1.32Å | 1.33Å | Aromatic |
| C16 | N15 | doub | 1.33Å | 1.39Å | Aromatic |
| N17 | C16 | sing | 1.38Å | 1.41Å | |
| C18 | N17 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| N20 | C19 | sing | 1.47Å | 1.52Å | |
| N22 | C21 | doub | 1.33Å | 1.34Å | Aromatic |
| C23 | N22 | sing | 1.32Å | 1.40Å | Aromatic |
| N24 | C23 | doub | 1.31Å | 1.33Å | Aromatic |
| C25 | N24 | sing | 1.34Å | 1.41Å | Aromatic |
| C26 | C25 | doub | 1.42Å | 1.42Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.45Å | Aromatic |
| C28 | C27 | doub | 1.37Å | 1.41Å | Aromatic |
| C30 | O29 | sing | 1.43Å | 1.45Å | |
| C31 | C30 | sing | 1.53Å | 1.61Å | |
| O32 | C31 | sing | 1.43Å | 1.44Å | |
| C33 | O32 | sing | 1.43Å | 1.43Å | |
| O29 | C28 | sing | 1.36Å | 1.40Å | |
| C34 | C28 | sing | 1.40Å | 1.45Å | Aromatic |
| C36 | O35 | sing | 1.43Å | 1.43Å | |
| C37 | C36 | sing | 1.53Å | 1.59Å | |
| O38 | C37 | sing | 1.43Å | 1.43Å | |
| C39 | O38 | sing | 1.43Å | 1.42Å | |
| O35 | C34 | sing | 1.36Å | 1.38Å | |
| C40 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | N20 | sing | 1.38Å | 1.45Å | |
| C41 | N20 | sing | 1.47Å | 1.50Å | |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| C04 | C07 | sing | 1.38Å | 1.42Å | Aromatic |
| N13 | C16 | sing | 1.33Å | 1.37Å | Aromatic |
| N17 | C42 | sing | 1.47Å | 1.49Å | |
| C21 | C26 | sing | 1.41Å | 1.47Å | Aromatic |
| C25 | C40 | sing | 1.40Å | 1.44Å | Aromatic |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | 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 | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| N10 | H1 | sing | 1.01Å | 1.00Å | |
| N10 | H101 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 118.8° | 120.0° |
| F01 | C02 | C05 | 120.2° | 120.0° |
| C04 | C03 | C02 | 117.9° | 120.0° |
| C03 | C04 | C07 | 123.1° | 120.0° |
| C04 | C03 | H031 | 121.0° | 120.0° |
| C03 | C04 | H041 | 118.5° | 120.0° |
| C03 | C02 | C05 | 120.9° | 120.0° |
| C02 | C03 | H031 | 121.1° | 120.0° |
| C02 | C05 | C06 | 119.9° | 119.9° |
| C02 | C05 | H051 | 120.0° | 120.1° |
| C05 | C06 | C07 | 121.2° | 120.1° |
| C06 | C05 | H051 | 120.0° | 120.0° |
| C05 | C06 | H061 | 119.4° | 120.0° |
| C06 | C07 | C08 | 122.6° | 120.0° |
| C06 | C07 | C04 | 116.9° | 120.0° |
| C07 | C06 | H061 | 119.4° | 120.0° |
| C07 | C08 | C09 | 112.0° | 109.5° |
| C07 | C08 | N10 | 110.1° | 109.5° |
| C07 | C08 | C11 | 111.3° | 109.5° |
| C08 | C07 | C04 | 120.5° | 120.0° |
| C09 | C08 | N10 | 106.7° | 109.5° |
| C09 | C08 | C11 | 110.5° | 109.5° |
| C08 | C09 | H091 | 109.5° | 109.4° |
| C08 | C09 | H092 | 109.4° | 109.4° |
| C08 | C09 | H093 | 109.5° | 109.5° |
| N10 | C08 | C11 | 106.0° | 109.5° |
| C08 | N10 | H1 | 109.5° | 111.0° |
| C08 | N10 | H101 | 109.4° | 111.0° |
| C08 | C11 | C12 | 127.0° | 120.7° |
| C08 | C11 | C14 | 120.7° | 120.7° |
| N13 | C12 | C11 | 124.5° | 119.2° |
| C12 | N13 | C16 | 118.8° | 120.7° |
| N13 | C12 | H121 | 117.8° | 120.4° |
| C12 | C11 | C14 | 112.3° | 118.5° |
| C11 | C12 | H121 | 117.8° | 120.4° |
| C11 | C14 | N15 | 126.3° | 119.2° |
| C11 | C14 | H141 | 116.9° | 120.4° |
| C14 | N15 | C16 | 117.2° | 120.7° |
| N15 | C14 | H141 | 116.8° | 120.4° |
| N15 | C16 | N17 | 118.6° | 119.2° |
| N15 | C16 | N13 | 120.9° | 121.6° |
| C16 | N17 | C18 | 127.8° | 111.0° |
| N17 | C16 | N13 | 120.5° | 119.2° |
| C16 | N17 | C42 | 121.3° | 110.9° |
| N17 | C18 | C19 | 115.0° | 109.4° |
| C18 | N17 | C42 | 110.8° | 110.9° |
| N17 | C18 | H181 | 108.1° | 109.5° |
| N17 | C18 | H182 | 108.1° | 109.5° |
| C18 | C19 | N20 | 110.4° | 109.4° |
| C19 | C18 | H181 | 108.0° | 109.5° |
| C19 | C18 | H182 | 108.1° | 109.5° |
| C18 | C19 | H191 | 109.2° | 109.5° |
| C18 | C19 | H192 | 109.2° | 109.5° |
| C19 | N20 | C21 | 118.6° | 111.0° |
| C19 | N20 | C41 | 105.3° | 110.9° |
| N20 | C19 | H191 | 109.2° | 109.5° |
| N20 | C19 | H192 | 109.2° | 109.5° |
| C21 | N22 | C23 | 117.7° | 121.5° |
| N22 | C21 | N20 | 119.8° | 120.9° |
| N22 | C21 | C26 | 121.9° | 118.2° |
| N22 | C23 | N24 | 124.7° | 123.0° |
| N22 | C23 | H231 | 117.6° | 118.5° |
| C23 | N24 | C25 | 119.1° | 120.4° |
| N24 | C23 | H231 | 117.6° | 118.5° |
| N24 | C25 | C26 | 120.2° | 118.7° |
| N24 | C25 | C40 | 120.7° | 121.9° |
| C25 | C26 | C27 | 115.4° | 119.9° |
| C25 | C26 | C21 | 116.4° | 118.2° |
| C26 | C25 | C40 | 119.1° | 119.4° |
| C26 | C27 | C28 | 125.7° | 119.7° |
| C27 | C26 | C21 | 128.3° | 122.0° |
| C26 | C27 | H271 | 117.2° | 120.1° |
| C27 | C28 | O29 | 122.2° | 119.7° |
| C27 | C28 | C34 | 117.4° | 120.7° |
| C28 | C27 | H271 | 117.2° | 120.1° |
| O29 | C30 | C31 | 113.7° | 109.5° |
| C30 | O29 | C28 | 120.0° | 117.0° |
| O29 | C30 | H301 | 108.4° | 109.5° |
| O29 | C30 | H302 | 108.4° | 109.5° |
| C30 | C31 | O32 | 110.2° | 109.5° |
| C31 | C30 | H301 | 108.4° | 109.5° |
| C31 | C30 | H302 | 108.4° | 109.5° |
| C30 | C31 | H311 | 109.3° | 109.5° |
| C30 | C31 | H312 | 109.3° | 109.5° |
| C31 | O32 | C33 | 115.7° | 114.0° |
| O32 | C31 | H311 | 109.3° | 109.5° |
| O32 | C31 | H312 | 109.3° | 109.5° |
| O32 | C33 | H331 | 109.5° | 109.5° |
| O32 | C33 | H332 | 109.5° | 109.5° |
| O32 | C33 | H333 | 109.5° | 109.5° |
| O29 | C28 | C34 | 120.4° | 119.6° |
| C28 | C34 | O35 | 117.8° | 119.7° |
| C28 | C34 | C40 | 117.6° | 120.7° |
| O35 | C36 | C37 | 113.2° | 109.4° |
| C36 | O35 | C34 | 121.6° | 117.0° |
| O35 | C36 | H361 | 108.5° | 109.5° |
| O35 | C36 | H362 | 108.5° | 109.5° |
| C36 | C37 | O38 | 110.9° | 109.5° |
| C37 | C36 | H361 | 108.5° | 109.5° |
| C37 | C36 | H362 | 108.5° | 109.5° |
| C36 | C37 | H371 | 109.1° | 109.5° |
| C36 | C37 | H372 | 109.2° | 109.5° |
| C37 | O38 | C39 | 115.7° | 114.0° |
| O38 | C37 | H371 | 109.1° | 109.5° |
| O38 | C37 | H372 | 109.1° | 109.5° |
| O38 | C39 | H391 | 109.5° | 109.5° |
| O38 | C39 | H392 | 109.5° | 109.5° |
| O38 | C39 | H393 | 109.5° | 109.5° |
| O35 | C34 | C40 | 124.5° | 119.6° |
| C34 | C40 | C25 | 124.7° | 119.5° |
| C34 | C40 | H401 | 117.6° | 120.3° |
| C21 | N20 | C41 | 118.0° | 111.0° |
| N20 | C21 | C26 | 118.3° | 120.9° |
| N20 | C41 | C42 | 109.1° | 109.4° |
| N20 | C41 | H411 | 109.6° | 109.5° |
| N20 | C41 | H412 | 109.6° | 109.5° |
| C41 | C42 | N17 | 112.2° | 109.3° |
| C42 | C41 | H411 | 109.6° | 109.5° |
| C42 | C41 | H412 | 109.6° | 109.5° |
| C41 | C42 | H421 | 108.8° | 109.5° |
| C41 | C42 | H422 | 108.8° | 109.5° |
| C07 | C04 | H041 | 118.4° | 120.0° |
| N17 | C42 | H421 | 108.8° | 109.5° |
| N17 | C42 | H422 | 108.8° | 109.5° |
| C25 | C40 | H401 | 117.7° | 120.2° |
| H091 | C09 | H092 | 109.4° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.5° |
| H092 | C09 | H093 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.4° | 109.4° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.4° | 109.4° |
| H391 | C39 | H393 | 109.5° | 109.4° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.4° | 109.5° |
| H421 | C42 | H422 | 109.5° | 109.5° |
| H1 | N10 | H101 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C04 | 179.8° | 180.0° |
| F01 | C02 | C03 | C05 | 180.0° | 179.8° |
| F01 | C02 | C05 | C06 | 179.9° | 179.9° |
| F01 | C02 | C03 | H031 | 0.2° | 0.0° |
| F01 | C02 | C05 | H051 | 0.1° | 0.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | C05 | 0.1° | 0.3° |
| C03 | C04 | C07 | C06 | 0.9° | 0.2° |
| C03 | C04 | C07 | C08 | 179.7° | 180.0° |
| C03 | C04 | C07 | H041 | 180.0° | 180.0° |
| C03 | C02 | C05 | C06 | 0.2° | 0.3° |
| C02 | C03 | C04 | C07 | 0.7° | 0.0° |
| C02 | C03 | C04 | H041 | 179.3° | 180.0° |
| C03 | C02 | C05 | H051 | 179.9° | 179.8° |
| C02 | C05 | C06 | H051 | 180.0° | 179.9° |
| C02 | C05 | C06 | C07 | 0.1° | 0.1° |
| C05 | C02 | C03 | H031 | 179.9° | 179.8° |
| C02 | C05 | C06 | H061 | 179.9° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.4° | 180.0° |
| C05 | C06 | C07 | C04 | 0.6° | 0.2° |
| C06 | C07 | C08 | C04 | 178.8° | 179.8° |
| C06 | C07 | C08 | C09 | 103.5° | 56.0° |
| C06 | C07 | C08 | N10 | 15.0° | 176.0° |
| C06 | C07 | C08 | C11 | 132.2° | 64.0° |
| C06 | C07 | C04 | H041 | 179.1° | 179.7° |
| C07 | C06 | C05 | H051 | 179.9° | 180.0° |
| C07 | C08 | C09 | N10 | 120.5° | 120.0° |
| C07 | C08 | C09 | C11 | 124.7° | 120.0° |
| C07 | C08 | N10 | C11 | 120.5° | 120.0° |
| C07 | C08 | C11 | C12 | 119.1° | 99.6° |
| C07 | C08 | C11 | C14 | 61.3° | 80.7° |
| C08 | C07 | C04 | H041 | 0.3° | 0.1° |
| C08 | C07 | C06 | H061 | 0.6° | 0.0° |
| C07 | C08 | C09 | H091 | 180.0° | 60.0° |
| C07 | C08 | C09 | H092 | 60.0° | 180.0° |
| C07 | C08 | C09 | H093 | 60.0° | 60.0° |
| C07 | C08 | N10 | H1 | 180.0° | 176.0° |
| C07 | C08 | N10 | H101 | 60.0° | 60.0° |
| C09 | C08 | N10 | C11 | 117.8° | 120.0° |
| C09 | C08 | C11 | C12 | 6.0° | 140.4° |
| C09 | C08 | C11 | C14 | 173.6° | 39.3° |
| C09 | C08 | C07 | C04 | 77.8° | 123.8° |
| C08 | C09 | H091 | H092 | 120.0° | 119.9° |
| C08 | C09 | H091 | H093 | 120.0° | 120.0° |
| C08 | C09 | H092 | H093 | 120.0° | 120.0° |
| C09 | C08 | N10 | H1 | 58.3° | 56.0° |
| C09 | C08 | N10 | H101 | 178.3° | 180.0° |
| N10 | C08 | C11 | C12 | 121.2° | 20.4° |
| N10 | C08 | C11 | C14 | 58.4° | 159.3° |
| N10 | C08 | C07 | C04 | 163.7° | 3.8° |
| N10 | C08 | C09 | H091 | 59.5° | 180.0° |
| N10 | C08 | C09 | H092 | 60.5° | 60.0° |
| N10 | C08 | C09 | H093 | 179.5° | 60.0° |
| C08 | N10 | H1 | H101 | 120.0° | 123.9° |
| C08 | C11 | C12 | N13 | 179.3° | 180.0° |
| C08 | C11 | C12 | C14 | 179.7° | 179.7° |
| C08 | C11 | C14 | N15 | 178.8° | 180.0° |
| C11 | C08 | C07 | C04 | 46.5° | 116.2° |
| C11 | C08 | C09 | H091 | 55.3° | 60.0° |
| C11 | C08 | C09 | H092 | 175.3° | 60.0° |
| C11 | C08 | C09 | H093 | 64.7° | 180.0° |
| C08 | C11 | C12 | H121 | 0.7° | 0.1° |
| C08 | C11 | C14 | H141 | 1.1° | 0.0° |
| C11 | C08 | N10 | H1 | 59.5° | 64.0° |
| C11 | C08 | N10 | H101 | 60.5° | 60.0° |
| N13 | C12 | C11 | H121 | 180.0° | 179.9° |
| N13 | C12 | C11 | C14 | 0.4° | 0.3° |
| C12 | N13 | C16 | N15 | 0.5° | 0.4° |
| C12 | N13 | C16 | N17 | 179.0° | 179.9° |
| C12 | C11 | C14 | N15 | 0.9° | 0.2° |
| C11 | C12 | N13 | C16 | 0.2° | 0.0° |
| C12 | C11 | C14 | H141 | 179.2° | 179.7° |
| C11 | C14 | N15 | H141 | 180.0° | 179.9° |
| C11 | C14 | N15 | C16 | 0.6° | 0.1° |
| C14 | C11 | C12 | H121 | 179.6° | 179.8° |
| C14 | N15 | C16 | N17 | 179.5° | 180.0° |
| C14 | N15 | C16 | N13 | 0.1° | 0.4° |
| N15 | C16 | N17 | N13 | 179.6° | 179.6° |
| N15 | C16 | N17 | C18 | 4.7° | 180.0° |
| N15 | C16 | N17 | C42 | 172.3° | 56.3° |
| C16 | N15 | C14 | H141 | 179.4° | 180.0° |
| C16 | N17 | C18 | C42 | 177.2° | 123.8° |
| C16 | N17 | C18 | C19 | 129.8° | 176.9° |
| C16 | N17 | C42 | C41 | 126.4° | 176.8° |
| C16 | N17 | C18 | H181 | 9.0° | 56.9° |
| C16 | N17 | C18 | H182 | 109.4° | 63.2° |
| C16 | N17 | C42 | H421 | 6.0° | 63.2° |
| C16 | N17 | C42 | H422 | 113.2° | 56.9° |
| N17 | C18 | C19 | H181 | 120.8° | 120.0° |
| N17 | C18 | C19 | H182 | 120.8° | 120.0° |
| N17 | C18 | C19 | N20 | 53.9° | 58.4° |
| C18 | N17 | C42 | C41 | 51.1° | 59.3° |
| C18 | N17 | C16 | N13 | 174.9° | 0.4° |
| N17 | C18 | H181 | H182 | 117.5° | 120.1° |
| N17 | C18 | C19 | H191 | 66.2° | 178.4° |
| N17 | C18 | C19 | H192 | 174.1° | 61.6° |
| C18 | N17 | C42 | H421 | 171.5° | 60.6° |
| C18 | N17 | C42 | H422 | 69.3° | 179.3° |
| C18 | C19 | N20 | H191 | 120.1° | 120.0° |
| C18 | C19 | N20 | H192 | 120.2° | 120.0° |
| C18 | C19 | N20 | C21 | 164.7° | 64.6° |
| C18 | C19 | N20 | C41 | 60.5° | 59.3° |
| C19 | C18 | N17 | C42 | 47.4° | 59.3° |
| C19 | C18 | H181 | H182 | 117.5° | 120.0° |
| C18 | C19 | H191 | H192 | 119.5° | 120.0° |
| C19 | N20 | C21 | N22 | 10.3° | 62.2° |
| C19 | N20 | C21 | C41 | 129.1° | 123.8° |
| C19 | N20 | C41 | C42 | 65.0° | 59.3° |
| C19 | N20 | C21 | C26 | 171.3° | 117.6° |
| N20 | C19 | C18 | H181 | 174.7° | 178.4° |
| N20 | C19 | C18 | H182 | 66.9° | 61.6° |
| N20 | C19 | H191 | H192 | 119.6° | 120.1° |
| C19 | N20 | C41 | H411 | 55.0° | 60.6° |
| C19 | N20 | C41 | H412 | 175.1° | 179.3° |
| C21 | N22 | C23 | N24 | 1.7° | 0.0° |
| N22 | C21 | C26 | C25 | 0.3° | 0.2° |
| N22 | C21 | C26 | C27 | 179.3° | 179.7° |
| N22 | C21 | N20 | C26 | 178.4° | 179.7° |
| N22 | C21 | N20 | C41 | 118.8° | 61.7° |
| C21 | N22 | C23 | H231 | 178.3° | 180.0° |
| N22 | C23 | N24 | H231 | 180.0° | 180.0° |
| N22 | C23 | N24 | C25 | 1.1° | 0.3° |
| C23 | N22 | C21 | N20 | 179.6° | 180.0° |
| C23 | N22 | C21 | C26 | 1.2° | 0.2° |
| C23 | N24 | C25 | C26 | 0.0° | 0.3° |
| C23 | N24 | C25 | C40 | 179.5° | 179.7° |
| N24 | C25 | C26 | C40 | 179.6° | 179.9° |
| N24 | C25 | C26 | C27 | 180.0° | 180.0° |
| N24 | C25 | C40 | C34 | 179.9° | 179.9° |
| N24 | C25 | C26 | C21 | 0.3° | 0.1° |
| C25 | N24 | C23 | H231 | 179.0° | 179.7° |
| N24 | C25 | C40 | H401 | 0.1° | 0.0° |
| C25 | C26 | C27 | C21 | 179.6° | 179.9° |
| C25 | C26 | C27 | C28 | 0.5° | 0.1° |
| C26 | C25 | C40 | C34 | 0.6° | 0.0° |
| C25 | C26 | C21 | N20 | 178.6° | 180.0° |
| C25 | C26 | C27 | H271 | 179.5° | 180.0° |
| C26 | C25 | C40 | H401 | 179.5° | 179.9° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | O29 | 179.7° | 179.9° |
| C26 | C27 | C28 | C34 | 0.6° | 0.0° |
| C27 | C26 | C21 | N20 | 1.0° | 0.1° |
| C27 | C26 | C25 | C40 | 0.4° | 0.1° |
| C27 | C28 | O29 | C30 | 8.3° | 0.1° |
| C27 | C28 | O29 | C34 | 179.7° | 179.9° |
| C27 | C28 | C34 | O35 | 179.8° | 180.0° |
| C27 | C28 | C34 | C40 | 0.7° | 0.1° |
| C28 | C27 | C26 | C21 | 179.9° | 180.0° |
| O29 | C30 | C31 | H301 | 120.6° | 120.0° |
| O29 | C30 | C31 | H302 | 120.6° | 120.0° |
| O29 | C30 | C31 | O32 | 51.2° | 65.0° |
| C30 | O29 | C28 | C34 | 171.4° | 180.0° |
| O29 | C30 | H301 | H302 | 118.1° | 120.0° |
| O29 | C30 | C31 | H311 | 68.9° | 175.0° |
| O29 | C30 | C31 | H312 | 171.3° | 55.0° |
| C30 | C31 | O32 | H311 | 120.1° | 120.0° |
| C30 | C31 | O32 | H312 | 120.1° | 120.0° |
| C30 | C31 | O32 | C33 | 83.8° | 180.0° |
| C31 | C30 | O29 | C28 | 173.9° | 180.0° |
| C31 | C30 | H301 | H302 | 118.1° | 120.0° |
| C30 | C31 | H311 | H312 | 119.7° | 120.0° |
| O32 | C31 | C30 | H301 | 171.8° | 175.0° |
| O32 | C31 | C30 | H302 | 69.4° | 55.0° |
| O32 | C31 | H311 | H312 | 119.7° | 120.0° |
| C31 | O32 | C33 | H331 | 180.0° | 60.0° |
| C31 | O32 | C33 | H332 | 60.0° | 180.0° |
| C31 | O32 | C33 | H333 | 60.0° | 60.0° |
| C33 | O32 | C31 | H311 | 156.1° | 60.0° |
| C33 | O32 | C31 | H312 | 36.3° | 60.0° |
| O32 | C33 | H331 | H332 | 120.0° | 120.0° |
| O32 | C33 | H331 | H333 | 120.0° | 120.0° |
| O32 | C33 | H332 | H333 | 119.9° | 120.0° |
| O29 | C28 | C34 | O35 | 0.0° | 0.1° |
| O29 | C28 | C34 | C40 | 179.6° | 180.0° |
| O29 | C28 | C27 | H271 | 0.4° | 0.0° |
| C28 | O29 | C30 | H301 | 65.5° | 60.1° |
| C28 | O29 | C30 | H302 | 53.3° | 60.0° |
| C28 | C34 | O35 | C36 | 171.7° | 179.9° |
| C28 | C34 | O35 | C40 | 179.6° | 179.9° |
| C28 | C34 | C40 | C25 | 0.7° | 0.1° |
| C34 | C28 | C27 | H271 | 179.4° | 180.0° |
| C28 | C34 | C40 | H401 | 179.4° | 180.0° |
| O35 | C36 | C37 | H361 | 120.5° | 120.0° |
| O35 | C36 | C37 | H362 | 120.6° | 120.0° |
| O35 | C36 | C37 | O38 | 48.9° | 65.0° |
| C36 | O35 | C34 | C40 | 8.8° | 0.0° |
| O35 | C36 | H361 | H362 | 118.3° | 120.1° |
| O35 | C36 | C37 | H371 | 169.1° | 175.0° |
| O35 | C36 | C37 | H372 | 71.3° | 55.0° |
| C36 | C37 | O38 | H371 | 120.2° | 120.0° |
| C36 | C37 | O38 | H372 | 120.2° | 120.0° |
| C36 | C37 | O38 | C39 | 168.2° | 180.0° |
| C37 | C36 | O35 | C34 | 172.2° | 180.0° |
| C37 | C36 | H361 | H362 | 118.3° | 120.0° |
| C36 | C37 | H371 | H372 | 119.4° | 120.0° |
| O38 | C37 | C36 | H361 | 71.6° | 175.0° |
| O38 | C37 | C36 | H362 | 169.5° | 55.0° |
| O38 | C37 | H371 | H372 | 119.4° | 120.0° |
| C37 | O38 | C39 | H391 | 180.0° | 60.0° |
| C37 | O38 | C39 | H392 | 60.0° | 180.0° |
| C37 | O38 | C39 | H393 | 60.0° | 60.0° |
| C39 | O38 | C37 | H371 | 71.6° | 60.0° |
| C39 | O38 | C37 | H372 | 48.0° | 60.0° |
| O38 | C39 | H391 | H392 | 120.0° | 120.0° |
| O38 | C39 | H391 | H393 | 120.0° | 120.0° |
| O38 | C39 | H392 | H393 | 120.0° | 120.1° |
| O35 | C34 | C40 | C25 | 179.8° | 180.0° |
| C34 | O35 | C36 | H361 | 51.7° | 60.0° |
| C34 | O35 | C36 | H362 | 67.2° | 60.0° |
| O35 | C34 | C40 | H401 | 0.2° | 0.1° |
| C34 | C40 | C25 | H401 | 180.0° | 179.9° |
| C21 | N20 | C41 | C42 | 159.9° | 64.6° |
| C21 | N20 | C19 | H191 | 75.2° | 55.4° |
| C21 | N20 | C19 | H192 | 44.5° | 175.5° |
| C21 | N20 | C41 | H411 | 80.1° | 175.5° |
| C21 | N20 | C41 | H412 | 40.0° | 55.5° |
| N20 | C41 | C42 | H411 | 119.9° | 119.9° |
| N20 | C41 | C42 | H412 | 120.0° | 120.1° |
| N20 | C41 | C42 | N17 | 62.3° | 58.4° |
| C41 | N20 | C21 | C26 | 59.6° | 118.6° |
| C41 | N20 | C19 | H191 | 59.6° | 179.3° |
| C41 | N20 | C19 | H192 | 179.3° | 60.7° |
| N20 | C41 | H411 | H412 | 120.2° | 120.1° |
| N20 | C41 | C42 | H421 | 177.3° | 61.6° |
| N20 | C41 | C42 | H422 | 58.1° | 178.4° |
| C41 | C42 | N17 | H421 | 120.4° | 119.9° |
| C41 | C42 | N17 | H422 | 120.4° | 120.0° |
| C42 | C41 | H411 | H412 | 120.2° | 120.1° |
| C41 | C42 | H421 | H422 | 118.7° | 120.0° |
| C07 | C04 | C03 | H031 | 179.3° | 180.0° |
| C04 | C07 | C06 | H061 | 179.4° | 179.8° |
| N13 | C16 | N17 | C42 | 8.2° | 124.1° |
| C16 | N13 | C12 | H121 | 179.7° | 179.9° |
| C42 | N17 | C18 | H181 | 168.2° | 179.3° |
| C42 | N17 | C18 | H182 | 73.4° | 60.6° |
| N17 | C42 | C41 | H411 | 57.6° | 61.6° |
| N17 | C42 | C41 | H412 | 177.7° | 178.4° |
| N17 | C42 | H421 | H422 | 118.7° | 120.1° |
| C21 | C26 | C25 | C40 | 179.9° | 180.0° |
| C21 | C26 | C27 | H271 | 0.2° | 0.1° |
| H031 | C03 | C04 | H041 | 0.7° | 0.1° |
| H051 | C05 | C06 | H061 | 0.1° | 0.0° |
| H091 | C09 | H092 | H093 | 120.0° | 120.1° |
| H181 | C18 | C19 | H191 | 54.6° | 61.6° |
| H181 | C18 | C19 | H192 | 65.1° | 58.4° |
| H182 | C18 | C19 | H191 | 172.9° | 58.4° |
| H182 | C18 | C19 | H192 | 53.3° | 178.4° |
| H301 | C30 | C31 | H311 | 51.7° | 55.0° |
| H301 | C30 | C31 | H312 | 68.1° | 65.0° |
| H302 | C30 | C31 | H311 | 170.5° | 65.0° |
| H302 | C30 | C31 | H312 | 50.7° | 175.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 48.6° | 55.0° |
| H361 | C36 | C37 | H372 | 168.2° | 65.0° |
| H362 | C36 | C37 | H371 | 70.3° | 65.0° |
| H362 | C36 | C37 | H372 | 49.3° | 175.0° |
| H391 | C39 | H392 | H393 | 120.0° | 119.9° |
| H411 | C41 | C42 | H421 | 62.8° | 178.4° |
| H411 | C41 | C42 | H422 | 178.1° | 58.4° |
| H412 | C41 | C42 | H421 | 57.3° | 58.4° |
| H412 | C41 | C42 | H422 | 61.9° | 61.6° |
