Y5D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | S02 | doub | 1.42Å | 1.44Å | |
| O01 | S02 | doub | 1.42Å | 1.44Å | |
| C39 | S02 | sing | 1.81Å | 1.81Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| S02 | N03 | sing | 1.66Å | 1.67Å | |
| N03 | C38 | sing | 1.48Å | 1.47Å | |
| N03 | C04 | sing | 1.48Å | 1.47Å | |
| C38 | C05 | sing | 1.54Å | 1.46Å | |
| C04 | C05 | sing | 1.54Å | 1.48Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C31 | C25 | sing | 1.53Å | 1.44Å | |
| C30 | N28 | sing | 1.47Å | 1.44Å | |
| N37 | C36 | doub | 1.31Å | 1.34Å | Aromatic |
| N37 | N09 | sing | 1.40Å | 1.37Å | Aromatic |
| C36 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| N09 | C05 | sing | 1.47Å | 1.44Å | |
| N09 | C10 | sing | 1.35Å | 1.34Å | Aromatic |
| F33 | C32 | sing | 1.35Å | 1.37Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.53Å | |
| C12 | N35 | doub | 1.33Å | 1.32Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C32 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.46Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.34Å | 1.40Å | Aromatic |
| C34 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.45Å | |
| N35 | C19 | sing | 1.33Å | 1.32Å | Aromatic |
| C13 | C17 | doub | 1.41Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.37Å | 1.33Å | Aromatic |
| N28 | C29 | sing | 1.47Å | 1.22Å | |
| N28 | C27 | sing | 1.47Å | 1.44Å | |
| C21 | N20 | sing | 1.40Å | 1.45Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | N20 | sing | 1.39Å | 1.42Å | |
| C19 | N18 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | N16 | sing | 1.37Å | 1.34Å | Aromatic |
| C17 | N18 | sing | 1.33Å | 1.36Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.47Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C07 | N08 | trip | 1.14Å | 1.15Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | S02 | O01 | 108.6° | 121.0° |
| O41 | S02 | C39 | 111.4° | 110.6° |
| O41 | S02 | N03 | 105.8° | 104.3° |
| O01 | S02 | C39 | 113.5° | 110.5° |
| O01 | S02 | N03 | 111.1° | 104.3° |
| S02 | C39 | C40 | 108.3° | 109.5° |
| C39 | S02 | N03 | 106.1° | 104.5° |
| S02 | C39 | H392 | 109.8° | 109.5° |
| S02 | C39 | H391 | 109.7° | 109.5° |
| C40 | C39 | H392 | 109.7° | 109.5° |
| C40 | C39 | H391 | 109.8° | 109.5° |
| C39 | C40 | H402 | 109.5° | 109.5° |
| C39 | C40 | H403 | 109.5° | 109.5° |
| C39 | C40 | H401 | 109.5° | 109.5° |
| S02 | N03 | C38 | 125.7° | 134.5° |
| S02 | N03 | C04 | 127.5° | 134.5° |
| C38 | N03 | C04 | 91.9° | 91.0° |
| N03 | C38 | C05 | 88.1° | 86.1° |
| N03 | C38 | H382 | 114.5° | 113.8° |
| N03 | C38 | H381 | 114.5° | 113.9° |
| N03 | C04 | C05 | 87.4° | 86.1° |
| N03 | C04 | H042 | 114.7° | 113.8° |
| N03 | C04 | H041 | 114.7° | 113.9° |
| C38 | C05 | C04 | 92.1° | 86.3° |
| C38 | C05 | N09 | 114.4° | 113.8° |
| C38 | C05 | C06 | 109.5° | 113.8° |
| C05 | C38 | H382 | 114.5° | 113.8° |
| C05 | C38 | H381 | 114.5° | 113.7° |
| C04 | C05 | N09 | 114.8° | 113.7° |
| C04 | C05 | C06 | 115.5° | 113.8° |
| C05 | C04 | H042 | 114.7° | 113.8° |
| C05 | C04 | H041 | 114.7° | 113.8° |
| C30 | C31 | C25 | 110.0° | 109.3° |
| C31 | C30 | N28 | 112.7° | 109.5° |
| C31 | C30 | H302 | 108.7° | 109.4° |
| C31 | C30 | H301 | 108.7° | 109.4° |
| C30 | C31 | H312 | 109.3° | 109.5° |
| C30 | C31 | H311 | 109.4° | 109.5° |
| C31 | C25 | C24 | 120.0° | 109.5° |
| C31 | C25 | C26 | 114.2° | 109.2° |
| C31 | C25 | H251 | 106.8° | 109.6° |
| C25 | C31 | H312 | 109.3° | 109.5° |
| C25 | C31 | H311 | 109.3° | 109.5° |
| C30 | N28 | C29 | 110.6° | 111.0° |
| C30 | N28 | C27 | 112.9° | 111.2° |
| N28 | C30 | H302 | 108.6° | 109.5° |
| N28 | C30 | H301 | 108.6° | 109.5° |
| C36 | N37 | N09 | 107.0° | 108.6° |
| N37 | C36 | C11 | 107.6° | 108.0° |
| N37 | C36 | H361 | 126.2° | 126.0° |
| N37 | N09 | C05 | 121.2° | 125.9° |
| N37 | N09 | C10 | 110.9° | 108.3° |
| C36 | C11 | C10 | 108.5° | 107.5° |
| C36 | C11 | C12 | 122.2° | 126.3° |
| C11 | C36 | H361 | 126.2° | 126.0° |
| C05 | N09 | C10 | 127.4° | 125.8° |
| N09 | C05 | C06 | 109.6° | 113.0° |
| N09 | C10 | C11 | 105.8° | 107.5° |
| N09 | C10 | H101 | 127.1° | 126.2° |
| F33 | C32 | C34 | 116.9° | 120.0° |
| F33 | C32 | C24 | 120.6° | 120.0° |
| C05 | C06 | C07 | 112.2° | 109.5° |
| C05 | C06 | H061 | 108.8° | 109.5° |
| C05 | C06 | H062 | 108.8° | 109.5° |
| C10 | C11 | C12 | 128.5° | 126.3° |
| C11 | C10 | H101 | 127.1° | 126.2° |
| C11 | C12 | N35 | 115.3° | 120.8° |
| C11 | C12 | C13 | 124.4° | 120.8° |
| N35 | C12 | C13 | 119.9° | 118.4° |
| C12 | N35 | C19 | 120.4° | 120.9° |
| C12 | C13 | C14 | 137.2° | 135.0° |
| C12 | C13 | C17 | 116.9° | 118.8° |
| C34 | C32 | C24 | 122.4° | 120.1° |
| C32 | C34 | C21 | 118.7° | 119.9° |
| C32 | C34 | H341 | 120.6° | 120.1° |
| C32 | C24 | C25 | 115.2° | 120.0° |
| C32 | C24 | C23 | 119.1° | 120.1° |
| C13 | C14 | C15 | 105.9° | 106.8° |
| C14 | C13 | C17 | 105.8° | 106.2° |
| C13 | C14 | H141 | 127.1° | 126.6° |
| C14 | C15 | N16 | 109.4° | 109.8° |
| C14 | C15 | H151 | 125.3° | 125.0° |
| C15 | C14 | H141 | 127.0° | 126.6° |
| C34 | C21 | N20 | 123.7° | 120.1° |
| C34 | C21 | C22 | 120.3° | 119.8° |
| C21 | C34 | H341 | 120.6° | 120.0° |
| C24 | C25 | C26 | 102.7° | 109.5° |
| C25 | C24 | C23 | 125.7° | 120.0° |
| C24 | C25 | H251 | 105.6° | 109.5° |
| C25 | C26 | C27 | 111.4° | 109.3° |
| C25 | C26 | H261 | 109.0° | 109.5° |
| C25 | C26 | H262 | 109.0° | 109.6° |
| C26 | C25 | H251 | 106.7° | 109.5° |
| N35 | C19 | N20 | 120.9° | 118.7° |
| N35 | C19 | N18 | 124.3° | 122.6° |
| C13 | C17 | N16 | 109.0° | 107.2° |
| C13 | C17 | N18 | 120.6° | 118.6° |
| C24 | C23 | C22 | 118.8° | 120.1° |
| C24 | C23 | H231 | 120.6° | 119.9° |
| C15 | N16 | C17 | 109.8° | 110.0° |
| N16 | C15 | H151 | 125.3° | 125.1° |
| C15 | N16 | H161 | 125.1° | 125.0° |
| C29 | N28 | C27 | 109.8° | 111.0° |
| N28 | C29 | H291 | 109.5° | 109.4° |
| N28 | C29 | H293 | 109.5° | 109.5° |
| N28 | C29 | H292 | 109.5° | 109.5° |
| N28 | C27 | C26 | 111.0° | 109.5° |
| N28 | C27 | H272 | 109.1° | 109.4° |
| N28 | C27 | H271 | 109.1° | 109.5° |
| N20 | C21 | C22 | 116.0° | 120.1° |
| C21 | N20 | C19 | 129.0° | 120.0° |
| C21 | N20 | H201 | 115.5° | 120.0° |
| C21 | C22 | C23 | 120.6° | 120.0° |
| C21 | C22 | H221 | 119.7° | 120.0° |
| N20 | C19 | N18 | 114.8° | 118.7° |
| C19 | N20 | H201 | 115.5° | 120.0° |
| C19 | N18 | C17 | 117.8° | 120.7° |
| N16 | C17 | N18 | 130.4° | 134.2° |
| C17 | N16 | H161 | 125.1° | 125.0° |
| C23 | C22 | H221 | 119.7° | 120.0° |
| C22 | C23 | H231 | 120.6° | 120.0° |
| C06 | C07 | N08 | 177.6° | 180.0° |
| C07 | C06 | H061 | 108.8° | 109.4° |
| C07 | C06 | H062 | 108.8° | 109.5° |
| C27 | C26 | H261 | 109.0° | 109.5° |
| C27 | C26 | H262 | 109.0° | 109.5° |
| C26 | C27 | H272 | 109.1° | 109.5° |
| C26 | C27 | H271 | 109.1° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 112.9° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.4° | 109.4° |
| H293 | C29 | H292 | 109.4° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.5° | 112.9° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H402 | C40 | H403 | 109.4° | 109.5° |
| H402 | C40 | H401 | 109.4° | 109.4° |
| H403 | C40 | H401 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | S02 | O01 | C39 | 124.6° | 131.6° |
| O41 | S02 | O01 | N03 | 115.9° | 116.7° |
| O41 | S02 | C39 | N03 | 114.7° | 111.6° |
| O41 | S02 | C39 | C40 | 59.9° | 68.4° |
| O41 | S02 | N03 | C38 | 19.5° | 153.9° |
| O41 | S02 | N03 | C04 | 107.5° | 26.1° |
| O41 | S02 | C39 | H392 | 179.7° | 51.6° |
| O41 | S02 | C39 | H391 | 60.0° | 171.6° |
| O01 | S02 | C39 | N03 | 122.3° | 111.6° |
| O01 | S02 | C39 | C40 | 177.1° | 68.4° |
| O01 | S02 | N03 | C38 | 137.2° | 26.1° |
| O01 | S02 | N03 | C04 | 10.2° | 153.9° |
| O01 | S02 | C39 | H392 | 57.3° | 171.6° |
| O01 | S02 | C39 | H391 | 63.1° | 51.6° |
| S02 | C39 | C40 | H392 | 119.8° | 120.0° |
| S02 | C39 | C40 | H391 | 119.8° | 120.0° |
| C39 | S02 | N03 | C38 | 99.0° | 90.0° |
| C39 | S02 | N03 | C04 | 134.0° | 90.0° |
| S02 | C39 | H392 | H391 | 120.5° | 120.0° |
| S02 | C39 | C40 | H402 | 180.0° | 60.0° |
| S02 | C39 | C40 | H403 | 60.0° | 60.0° |
| S02 | C39 | C40 | H401 | 60.0° | 180.0° |
| C40 | C39 | S02 | N03 | 54.8° | 180.0° |
| C40 | C39 | H392 | H391 | 120.5° | 120.0° |
| C39 | C40 | H402 | H403 | 120.0° | 120.1° |
| C39 | C40 | H402 | H401 | 120.0° | 120.0° |
| C39 | C40 | H403 | H401 | 120.0° | 120.0° |
| S02 | N03 | C38 | C04 | 140.7° | 180.0° |
| S02 | N03 | C38 | C05 | 145.9° | 155.4° |
| S02 | N03 | C04 | C05 | 144.8° | 155.4° |
| S02 | N03 | C04 | H042 | 28.7° | 90.3° |
| S02 | N03 | C04 | H041 | 99.2° | 41.0° |
| S02 | N03 | C38 | H382 | 97.9° | 41.1° |
| S02 | N03 | C38 | H381 | 29.8° | 90.3° |
| N03 | S02 | C39 | H392 | 65.0° | 60.0° |
| N03 | S02 | C39 | H391 | 174.6° | 60.0° |
| N03 | C38 | C05 | H382 | 116.2° | 114.3° |
| N03 | C38 | C05 | H381 | 116.2° | 114.4° |
| C38 | N03 | C04 | C05 | 5.2° | 24.6° |
| N03 | C38 | C05 | N09 | 123.8° | 90.8° |
| N03 | C38 | C05 | C06 | 112.8° | 137.9° |
| C38 | N03 | C04 | H042 | 110.8° | 89.7° |
| C38 | N03 | C04 | H041 | 121.3° | 139.0° |
| N03 | C38 | H382 | H381 | 130.2° | 131.9° |
| N03 | C04 | C05 | H042 | 116.0° | 114.3° |
| N03 | C04 | C05 | H041 | 116.0° | 114.4° |
| N03 | C04 | C05 | N09 | 123.5° | 90.8° |
| N03 | C04 | C05 | C06 | 107.6° | 137.9° |
| N03 | C04 | H042 | H041 | 130.5° | 131.8° |
| C04 | N03 | C38 | H382 | 121.4° | 138.9° |
| C04 | N03 | C38 | H381 | 110.9° | 89.7° |
| C38 | C05 | C04 | N09 | 118.2° | 114.4° |
| C38 | C05 | C04 | C06 | 112.8° | 114.4° |
| C38 | C05 | N09 | N37 | 36.7° | 23.8° |
| C38 | C05 | N09 | C06 | 123.4° | 131.7° |
| C38 | C05 | N09 | C10 | 151.8° | 156.0° |
| C38 | C05 | C06 | C07 | 175.1° | 85.1° |
| C38 | C05 | C04 | H042 | 110.8° | 90.7° |
| C38 | C05 | C04 | H041 | 121.3° | 138.0° |
| C38 | C05 | C06 | H061 | 54.7° | 154.9° |
| C38 | C05 | C06 | H062 | 64.5° | 34.9° |
| C05 | C38 | H382 | H381 | 130.2° | 131.6° |
| C04 | C05 | N09 | N37 | 141.5° | 120.4° |
| C04 | C05 | N09 | C06 | 131.8° | 131.6° |
| C04 | C05 | N09 | C10 | 47.1° | 59.3° |
| C04 | C05 | C06 | C07 | 72.8° | 178.3° |
| C05 | C04 | H042 | H041 | 130.5° | 131.7° |
| C04 | C05 | C06 | H061 | 47.6° | 58.3° |
| C04 | C05 | C06 | H062 | 166.8° | 61.7° |
| C04 | C05 | C38 | H382 | 121.4° | 137.9° |
| C04 | C05 | C38 | H381 | 110.9° | 90.9° |
| C30 | C31 | C25 | H312 | 120.1° | 120.0° |
| C30 | C31 | C25 | H311 | 120.1° | 120.0° |
| C31 | C30 | N28 | H302 | 120.5° | 120.0° |
| C31 | C30 | N28 | H301 | 120.5° | 120.0° |
| C30 | C31 | C25 | C24 | 178.6° | 177.5° |
| C30 | C31 | C25 | C26 | 56.2° | 57.6° |
| C31 | C30 | N28 | C29 | 173.8° | 62.4° |
| C31 | C30 | N28 | C27 | 50.3° | 61.7° |
| C30 | C31 | C25 | H251 | 61.5° | 62.3° |
| C31 | C30 | H302 | H301 | 118.5° | 119.9° |
| C30 | C31 | H312 | H311 | 119.8° | 120.1° |
| C25 | C31 | C30 | N28 | 5.6° | 59.2° |
| C31 | C25 | C24 | C32 | 109.6° | 120.6° |
| C31 | C25 | C24 | C26 | 127.9° | 119.7° |
| C31 | C25 | C24 | H251 | 120.5° | 120.2° |
| C31 | C25 | C26 | H251 | 117.7° | 119.9° |
| C31 | C25 | C24 | C23 | 71.0° | 59.7° |
| C31 | C25 | C26 | C27 | 49.8° | 57.6° |
| C31 | C25 | C26 | H261 | 70.5° | 62.3° |
| C31 | C25 | C26 | H262 | 170.1° | 177.6° |
| C25 | C31 | C30 | H302 | 114.9° | 60.8° |
| C25 | C31 | C30 | H301 | 126.0° | 179.2° |
| C25 | C31 | H312 | H311 | 119.7° | 120.1° |
| C30 | N28 | C29 | C27 | 125.2° | 124.2° |
| C30 | N28 | C27 | C26 | 56.5° | 61.7° |
| C30 | N28 | C27 | H272 | 176.8° | 178.2° |
| C30 | N28 | C27 | H271 | 63.7° | 58.2° |
| C30 | N28 | C29 | H291 | 180.0° | 60.0° |
| C30 | N28 | C29 | H293 | 60.0° | 180.0° |
| C30 | N28 | C29 | H292 | 60.0° | 59.9° |
| N28 | C30 | H302 | H301 | 118.5° | 120.0° |
| N28 | C30 | C31 | H312 | 114.5° | 179.1° |
| N28 | C30 | C31 | H311 | 125.6° | 60.8° |
| N37 | C36 | C11 | H361 | 180.0° | 180.0° |
| C36 | N37 | N09 | C05 | 174.1° | 179.8° |
| C36 | N37 | N09 | C10 | 1.3° | 0.4° |
| N37 | C36 | C11 | C10 | 4.3° | 0.0° |
| N37 | C36 | C11 | C12 | 174.7° | 180.0° |
| N09 | N37 | C36 | C11 | 1.8° | 0.3° |
| N37 | N09 | C05 | C10 | 171.5° | 179.8° |
| N37 | N09 | C05 | C06 | 86.7° | 107.9° |
| N37 | N09 | C10 | C11 | 3.9° | 0.4° |
| N37 | N09 | C10 | H101 | 176.1° | 179.9° |
| N09 | N37 | C36 | H361 | 178.1° | 179.7° |
| C36 | C11 | C10 | N09 | 5.0° | 0.2° |
| C36 | C11 | C10 | C12 | 169.7° | 179.9° |
| C36 | C11 | C12 | N35 | 6.5° | 145.1° |
| C36 | C11 | C12 | C13 | 179.6° | 35.0° |
| C36 | C11 | C10 | H101 | 175.0° | 179.9° |
| C05 | N09 | C10 | C11 | 176.1° | 179.8° |
| N09 | C05 | C06 | C07 | 58.6° | 46.7° |
| C05 | N09 | C10 | H101 | 3.9° | 0.1° |
| N09 | C05 | C04 | H042 | 7.4° | 154.8° |
| N09 | C05 | C04 | H041 | 120.5° | 23.6° |
| N09 | C05 | C06 | H061 | 179.1° | 73.3° |
| N09 | C05 | C06 | H062 | 61.8° | 166.7° |
| N09 | C05 | C38 | H382 | 120.0° | 23.6° |
| N09 | C05 | C38 | H381 | 7.6° | 154.8° |
| C10 | N09 | C05 | C06 | 84.8° | 72.3° |
| N09 | C10 | C11 | H101 | 180.0° | 179.7° |
| N09 | C10 | C11 | C12 | 174.7° | 179.7° |
| F33 | C32 | C34 | C24 | 178.3° | 180.0° |
| F33 | C32 | C34 | C21 | 178.3° | 180.0° |
| F33 | C32 | C24 | C25 | 0.3° | 0.0° |
| F33 | C32 | C24 | C23 | 179.1° | 179.7° |
| F33 | C32 | C34 | H341 | 1.7° | 0.1° |
| C05 | C06 | C07 | H061 | 120.4° | 120.0° |
| C05 | C06 | C07 | H062 | 120.4° | 120.0° |
| C05 | C06 | C07 | N08 | 22.1° | 34.4° |
| C06 | C05 | C04 | H042 | 136.4° | 23.6° |
| C06 | C05 | C04 | H041 | 8.5° | 107.6° |
| C05 | C06 | H061 | H062 | 118.8° | 120.0° |
| C06 | C05 | C38 | H382 | 3.4° | 107.7° |
| C06 | C05 | C38 | H381 | 131.1° | 23.5° |
| C10 | C11 | C12 | N35 | 162.0° | 35.0° |
| C10 | C11 | C12 | C13 | 11.2° | 144.9° |
| C10 | C11 | C36 | H361 | 175.7° | 180.0° |
| C11 | C12 | N35 | C13 | 173.5° | 180.0° |
| C11 | C12 | C13 | C14 | 8.2° | 0.4° |
| C11 | C12 | N35 | C19 | 174.9° | 180.0° |
| C11 | C12 | C13 | C17 | 175.5° | 180.0° |
| C12 | C11 | C10 | H101 | 5.3° | 0.0° |
| C12 | C11 | C36 | H361 | 5.2° | 0.0° |
| N35 | C12 | C13 | C14 | 179.0° | 179.6° |
| N35 | C12 | C13 | C17 | 2.7° | 0.0° |
| C12 | N35 | C19 | N20 | 177.5° | 180.0° |
| C12 | N35 | C19 | N18 | 0.6° | 0.0° |
| C12 | C13 | C14 | C17 | 176.6° | 179.6° |
| C12 | C13 | C14 | C15 | 178.2° | 179.7° |
| C13 | C12 | N35 | C19 | 1.4° | 0.0° |
| C12 | C13 | C17 | N16 | 179.2° | 180.0° |
| C12 | C13 | C17 | N18 | 3.2° | 0.0° |
| C12 | C13 | C14 | H141 | 1.8° | 0.4° |
| C32 | C34 | C21 | H341 | 180.0° | 179.9° |
| C34 | C32 | C24 | C25 | 178.5° | 180.0° |
| C34 | C32 | C24 | C23 | 0.9° | 0.4° |
| C32 | C34 | C21 | N20 | 178.6° | 180.0° |
| C32 | C34 | C21 | C22 | 0.1° | 0.2° |
| C24 | C32 | C34 | C21 | 0.1° | 0.1° |
| C32 | C24 | C25 | C23 | 179.4° | 179.7° |
| C32 | C24 | C25 | C26 | 122.5° | 119.7° |
| C32 | C24 | C23 | C22 | 1.5° | 0.4° |
| C32 | C24 | C23 | H231 | 178.5° | 179.7° |
| C32 | C24 | C25 | H251 | 10.9° | 0.4° |
| C24 | C32 | C34 | H341 | 179.9° | 179.9° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | N16 | 0.9° | 0.2° |
| C14 | C13 | C17 | N16 | 1.8° | 0.3° |
| C14 | C13 | C17 | N18 | 179.4° | 179.7° |
| C13 | C14 | C15 | H151 | 179.1° | 179.8° |
| C15 | C14 | C13 | C17 | 1.6° | 0.1° |
| C14 | C15 | N16 | H151 | 180.0° | 179.6° |
| C14 | C15 | N16 | C17 | 0.2° | 0.4° |
| C14 | C15 | N16 | H161 | 179.7° | 180.0° |
| C34 | C21 | N20 | C22 | 178.8° | 179.7° |
| C34 | C21 | N20 | C19 | 1.7° | 146.9° |
| C34 | C21 | C22 | C23 | 0.5° | 0.2° |
| C34 | C21 | C22 | H221 | 179.5° | 179.8° |
| C34 | C21 | N20 | H201 | 178.3° | 33.1° |
| C24 | C25 | C26 | H251 | 110.8° | 120.1° |
| C25 | C24 | C23 | C22 | 177.8° | 179.9° |
| C24 | C25 | C26 | C27 | 178.7° | 177.5° |
| C24 | C25 | C26 | H261 | 61.0° | 57.6° |
| C24 | C25 | C26 | H262 | 58.4° | 62.4° |
| C25 | C24 | C23 | H231 | 2.2° | 0.1° |
| C24 | C25 | C31 | H312 | 58.6° | 62.5° |
| C24 | C25 | C31 | H311 | 61.3° | 57.6° |
| C26 | C25 | C24 | C23 | 56.9° | 60.0° |
| C25 | C26 | C27 | N28 | 6.8° | 59.2° |
| C25 | C26 | C27 | H261 | 120.3° | 119.9° |
| C25 | C26 | C27 | H262 | 120.3° | 120.0° |
| C25 | C26 | H261 | H262 | 119.1° | 120.1° |
| C25 | C26 | C27 | H272 | 127.0° | 179.1° |
| C25 | C26 | C27 | H271 | 113.4° | 60.8° |
| C26 | C25 | C31 | H312 | 63.9° | 177.6° |
| C26 | C25 | C31 | H311 | 176.3° | 62.3° |
| N35 | C19 | N20 | C21 | 0.7° | 174.6° |
| N35 | C19 | N20 | N18 | 178.3° | 180.0° |
| N35 | C19 | N18 | C17 | 1.1° | 0.0° |
| N35 | C19 | N20 | H201 | 179.3° | 5.4° |
| C13 | C17 | N16 | C15 | 1.3° | 0.4° |
| C13 | C17 | N18 | C19 | 2.4° | 0.0° |
| C13 | C17 | N16 | N18 | 177.3° | 180.0° |
| C17 | C13 | C14 | H141 | 178.3° | 180.0° |
| C13 | C17 | N16 | H161 | 178.7° | 180.0° |
| C24 | C23 | C22 | C21 | 1.3° | 0.1° |
| C24 | C23 | C22 | H231 | 180.0° | 179.9° |
| C24 | C23 | C22 | H221 | 178.7° | 179.9° |
| C23 | C24 | C25 | H251 | 168.5° | 180.0° |
| C15 | N16 | C17 | H161 | 180.0° | 179.6° |
| C15 | N16 | C17 | N18 | 178.6° | 179.6° |
| N16 | C15 | C14 | H141 | 179.1° | 179.7° |
| C29 | N28 | C27 | C26 | 179.5° | 62.4° |
| C29 | N28 | C27 | H272 | 59.2° | 57.6° |
| C29 | N28 | C27 | H271 | 60.3° | 177.6° |
| N28 | C29 | H291 | H293 | 120.0° | 120.0° |
| N28 | C29 | H291 | H292 | 120.0° | 119.9° |
| N28 | C29 | H293 | H292 | 120.0° | 120.1° |
| C29 | N28 | C30 | H302 | 65.8° | 177.6° |
| C29 | N28 | C30 | H301 | 53.3° | 57.6° |
| N28 | C27 | C26 | H272 | 120.2° | 120.0° |
| N28 | C27 | C26 | H271 | 120.2° | 120.0° |
| N28 | C27 | C26 | H261 | 127.1° | 60.8° |
| N28 | C27 | C26 | H262 | 113.5° | 179.2° |
| N28 | C27 | H272 | H271 | 119.3° | 120.0° |
| C27 | N28 | C29 | H291 | 54.7° | 64.2° |
| C27 | N28 | C29 | H293 | 174.8° | 55.8° |
| C27 | N28 | C29 | H292 | 65.3° | 175.9° |
| C27 | N28 | C30 | H302 | 170.7° | 58.3° |
| C27 | N28 | C30 | H301 | 70.2° | 178.3° |
| C21 | N20 | C19 | H201 | 180.0° | 180.0° |
| C21 | N20 | C19 | N18 | 179.0° | 5.4° |
| N20 | C21 | C22 | C23 | 179.4° | 179.9° |
| N20 | C21 | C22 | H221 | 0.6° | 0.0° |
| N20 | C21 | C34 | H341 | 1.4° | 0.1° |
| C22 | C21 | N20 | C19 | 177.1° | 33.4° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | H231 | 178.7° | 180.0° |
| C22 | C21 | C34 | H341 | 179.9° | 179.6° |
| C22 | C21 | N20 | H201 | 2.9° | 146.6° |
| N20 | C19 | N18 | C17 | 177.1° | 180.0° |
| C19 | N18 | C17 | N16 | 179.4° | 180.0° |
| N18 | C19 | N20 | H201 | 1.0° | 174.6° |
| C17 | N16 | C15 | H151 | 179.8° | 180.0° |
| N18 | C17 | N16 | H161 | 1.4° | 0.0° |
| C07 | C06 | H061 | H062 | 118.7° | 120.0° |
| C27 | C26 | H261 | H262 | 119.1° | 120.1° |
| C27 | C26 | C25 | H251 | 67.9° | 62.3° |
| C26 | C27 | H272 | H271 | 119.3° | 120.0° |
| N08 | C07 | C06 | H061 | 142.5° | 154.4° |
| N08 | C07 | C06 | H062 | 98.3° | 85.7° |
| H151 | C15 | C14 | H141 | 0.9° | 0.1° |
| H151 | C15 | N16 | H161 | 0.3° | 0.4° |
| H221 | C22 | C23 | H231 | 1.3° | 0.0° |
| H261 | C26 | C25 | H251 | 171.8° | 177.7° |
| H261 | C26 | C27 | H272 | 112.6° | 59.2° |
| H261 | C26 | C27 | H271 | 6.9° | 179.2° |
| H262 | C26 | C25 | H251 | 52.4° | 57.7° |
| H262 | C26 | C27 | H272 | 6.8° | 60.8° |
| H262 | C26 | C27 | H271 | 126.3° | 59.2° |
| H251 | C25 | C31 | H312 | 178.5° | 57.7° |
| H251 | C25 | C31 | H311 | 58.6° | 177.8° |
| H291 | C29 | H293 | H292 | 120.0° | 120.0° |
| H302 | C30 | C31 | H312 | 125.0° | 59.1° |
| H302 | C30 | C31 | H311 | 5.2° | 179.2° |
| H301 | C30 | C31 | H312 | 6.0° | 60.9° |
| H301 | C30 | C31 | H311 | 113.9° | 59.2° |
| H392 | C39 | C40 | H402 | 60.2° | 60.0° |
| H392 | C39 | C40 | H403 | 179.8° | 180.0° |
| H392 | C39 | C40 | H401 | 59.8° | 60.0° |
| H391 | C39 | C40 | H402 | 60.2° | 180.0° |
| H391 | C39 | C40 | H403 | 59.8° | 60.0° |
| H391 | C39 | C40 | H401 | 179.8° | 60.0° |
| H402 | C40 | H403 | H401 | 119.9° | 119.9° |
