Y5G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | S02 | doub | 1.42Å | 1.44Å | |
| O01 | S02 | doub | 1.42Å | 1.44Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | S02 | sing | 1.81Å | 1.82Å | |
| S02 | N03 | sing | 1.66Å | 1.68Å | |
| N03 | C37 | sing | 1.48Å | 1.47Å | |
| N03 | C04 | sing | 1.48Å | 1.47Å | |
| C37 | C05 | sing | 1.54Å | 1.48Å | |
| C04 | C05 | sing | 1.54Å | 1.48Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | C25 | sing | 1.53Å | 1.44Å | |
| C27 | N28 | sing | 1.47Å | 1.44Å | |
| N36 | C35 | doub | 1.31Å | 1.33Å | Aromatic |
| N36 | N09 | sing | 1.40Å | 1.37Å | Aromatic |
| C35 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| N09 | C05 | sing | 1.47Å | 1.44Å | |
| N09 | C10 | sing | 1.35Å | 1.35Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | doub | 1.37Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.49Å | |
| C12 | N34 | doub | 1.33Å | 1.32Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.46Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.34Å | 1.39Å | Aromatic |
| C33 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| N34 | C19 | sing | 1.33Å | 1.31Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.57Å | |
| C25 | C31 | sing | 1.53Å | 1.44Å | |
| C13 | C17 | doub | 1.41Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | N20 | sing | 1.40Å | 1.43Å | |
| C21 | C22 | doub | 1.39Å | 1.36Å | Aromatic |
| C19 | N20 | sing | 1.39Å | 1.42Å | |
| C19 | N18 | doub | 1.32Å | 1.32Å | Aromatic |
| C15 | N16 | sing | 1.37Å | 1.34Å | Aromatic |
| C17 | N18 | sing | 1.33Å | 1.37Å | Aromatic |
| C17 | N16 | sing | 1.37Å | 1.34Å | Aromatic |
| N28 | C29 | sing | 1.47Å | 1.22Å | |
| N28 | C30 | sing | 1.47Å | 1.43Å | |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.47Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C07 | N08 | trip | 1.14Å | 1.14Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | 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 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | 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) |
| O40 | S02 | O01 | 110.7° | 121.0° |
| O40 | S02 | C38 | 112.3° | 110.6° |
| O40 | S02 | N03 | 105.6° | 104.3° |
| O01 | S02 | C38 | 110.3° | 110.5° |
| O01 | S02 | N03 | 110.9° | 104.3° |
| C39 | C38 | S02 | 108.8° | 109.5° |
| C39 | C38 | H382 | 109.6° | 109.4° |
| C39 | C38 | H381 | 109.6° | 109.5° |
| C38 | C39 | H392 | 109.5° | 109.5° |
| C38 | C39 | H393 | 109.5° | 109.5° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | S02 | N03 | 106.9° | 104.4° |
| S02 | C38 | H382 | 109.6° | 109.5° |
| S02 | C38 | H381 | 109.6° | 109.5° |
| S02 | N03 | C37 | 125.1° | 134.5° |
| S02 | N03 | C04 | 126.6° | 134.5° |
| C37 | N03 | C04 | 92.2° | 91.0° |
| N03 | C37 | C05 | 87.9° | 86.1° |
| N03 | C37 | H372 | 114.6° | 113.7° |
| N03 | C37 | H371 | 114.6° | 113.9° |
| N03 | C04 | C05 | 87.7° | 86.1° |
| N03 | C04 | H042 | 114.6° | 113.8° |
| N03 | C04 | H041 | 114.6° | 113.9° |
| C37 | C05 | C04 | 91.5° | 86.3° |
| C37 | C05 | N09 | 114.1° | 113.9° |
| C37 | C05 | C06 | 109.0° | 113.7° |
| C05 | C37 | H372 | 114.6° | 113.7° |
| C05 | C37 | H371 | 114.6° | 113.8° |
| C04 | C05 | N09 | 115.8° | 113.8° |
| C04 | C05 | C06 | 115.3° | 113.7° |
| C05 | C04 | H042 | 114.6° | 113.8° |
| C05 | C04 | H041 | 114.6° | 113.8° |
| C27 | C26 | C25 | 110.9° | 109.3° |
| C26 | C27 | N28 | 113.6° | 109.5° |
| C27 | C26 | H262 | 109.1° | 109.5° |
| C27 | C26 | H261 | 109.1° | 109.5° |
| C26 | C27 | H271 | 108.4° | 109.5° |
| C26 | C27 | H272 | 108.4° | 109.5° |
| C26 | C25 | C24 | 112.1° | 109.5° |
| C26 | C25 | C31 | 111.6° | 109.1° |
| C25 | C26 | H262 | 109.1° | 109.5° |
| C25 | C26 | H261 | 109.1° | 109.5° |
| C26 | C25 | H251 | 108.6° | 109.5° |
| C27 | N28 | C29 | 111.7° | 111.0° |
| C27 | N28 | C30 | 115.4° | 111.2° |
| N28 | C27 | H271 | 108.4° | 109.4° |
| N28 | C27 | H272 | 108.4° | 109.5° |
| C35 | N36 | N09 | 107.1° | 108.6° |
| N36 | C35 | C11 | 109.2° | 108.0° |
| N36 | C35 | H351 | 125.4° | 126.0° |
| N36 | N09 | C05 | 121.2° | 125.8° |
| N36 | N09 | C10 | 110.5° | 108.3° |
| C35 | C11 | C10 | 106.6° | 107.5° |
| C35 | C11 | C12 | 123.8° | 126.3° |
| C11 | C35 | H351 | 125.4° | 126.0° |
| C05 | N09 | C10 | 127.8° | 125.9° |
| N09 | C05 | C06 | 110.0° | 112.9° |
| N09 | C10 | C11 | 106.0° | 107.6° |
| N09 | C10 | H101 | 127.0° | 126.2° |
| C05 | C06 | C07 | 112.4° | 109.5° |
| C05 | C06 | H061 | 108.7° | 109.4° |
| C05 | C06 | H062 | 108.8° | 109.5° |
| C10 | C11 | C12 | 128.2° | 126.2° |
| C11 | C10 | H101 | 127.0° | 126.3° |
| C11 | C12 | N34 | 115.6° | 120.9° |
| C11 | C12 | C13 | 124.5° | 120.8° |
| N34 | C12 | C13 | 119.7° | 118.4° |
| C12 | N34 | C19 | 119.2° | 121.0° |
| C12 | C13 | C14 | 136.2° | 135.0° |
| C12 | C13 | C17 | 118.3° | 118.8° |
| C33 | C32 | C24 | 121.1° | 120.0° |
| C32 | C33 | C21 | 118.9° | 120.0° |
| C33 | C32 | H321 | 119.5° | 120.0° |
| C32 | C33 | H331 | 120.5° | 120.0° |
| C32 | C24 | C25 | 122.5° | 119.9° |
| C32 | C24 | C23 | 118.9° | 120.2° |
| C24 | C32 | H321 | 119.4° | 120.0° |
| C13 | C14 | C15 | 105.5° | 106.8° |
| C14 | C13 | C17 | 105.5° | 106.2° |
| C13 | C14 | H141 | 127.3° | 126.6° |
| C14 | C15 | N16 | 110.2° | 109.8° |
| C14 | C15 | H151 | 124.9° | 125.0° |
| C15 | C14 | H141 | 127.3° | 126.7° |
| C33 | C21 | N20 | 125.6° | 120.1° |
| C33 | C21 | C22 | 120.5° | 119.8° |
| C21 | C33 | H331 | 120.6° | 120.0° |
| N34 | C19 | N20 | 120.5° | 118.7° |
| N34 | C19 | N18 | 125.5° | 122.6° |
| C24 | C25 | C31 | 108.5° | 109.5° |
| C25 | C24 | C23 | 118.5° | 119.9° |
| C24 | C25 | H251 | 107.1° | 109.6° |
| C25 | C31 | C30 | 113.3° | 109.3° |
| C31 | C25 | H251 | 108.7° | 109.6° |
| C25 | C31 | H311 | 108.5° | 109.5° |
| C25 | C31 | H312 | 108.5° | 109.5° |
| C13 | C17 | N18 | 119.1° | 118.6° |
| C13 | C17 | N16 | 110.8° | 107.2° |
| C24 | C23 | C22 | 120.6° | 120.0° |
| C24 | C23 | H231 | 119.7° | 119.9° |
| N20 | C21 | C22 | 114.0° | 120.1° |
| C21 | N20 | C19 | 128.8° | 120.0° |
| C21 | N20 | H201 | 115.6° | 120.0° |
| C21 | C22 | C23 | 119.9° | 120.0° |
| C21 | C22 | H221 | 120.1° | 120.0° |
| N20 | C19 | N18 | 113.9° | 118.7° |
| C19 | N20 | H201 | 115.6° | 120.0° |
| C19 | N18 | C17 | 118.2° | 120.7° |
| C15 | N16 | C17 | 107.8° | 110.0° |
| N16 | C15 | H151 | 124.9° | 125.2° |
| C15 | N16 | H161 | 126.1° | 125.0° |
| N18 | C17 | N16 | 129.9° | 134.2° |
| C17 | N16 | H161 | 126.1° | 125.0° |
| C29 | N28 | C30 | 110.9° | 111.0° |
| N28 | C29 | H293 | 109.5° | 109.5° |
| N28 | C29 | H291 | 109.5° | 109.4° |
| N28 | C29 | H292 | 109.5° | 109.5° |
| N28 | C30 | C31 | 111.4° | 109.5° |
| N28 | C30 | H301 | 109.0° | 109.5° |
| N28 | C30 | H302 | 109.0° | 109.4° |
| C23 | C22 | H221 | 120.1° | 120.0° |
| C22 | C23 | H231 | 119.7° | 120.0° |
| C06 | C07 | N08 | 177.4° | 180.0° |
| C07 | C06 | H061 | 108.7° | 109.5° |
| C07 | C06 | H062 | 108.7° | 109.5° |
| C31 | C30 | H301 | 109.0° | 109.5° |
| C31 | C30 | H302 | 109.0° | 109.5° |
| C30 | C31 | H311 | 108.5° | 109.5° |
| C30 | C31 | H312 | 108.5° | 109.5° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 112.9° |
| H061 | C06 | H062 | 109.4° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H293 | C29 | H291 | 109.4° | 109.5° |
| H293 | C29 | H292 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.4° | 113.0° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.4° |
| H392 | C39 | H391 | 109.4° | 109.4° |
| H393 | C39 | H391 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | S02 | O01 | C38 | 125.0° | 131.5° |
| O40 | S02 | O01 | N03 | 116.8° | 116.7° |
| O40 | S02 | C38 | C39 | 142.9° | 68.4° |
| O40 | S02 | C38 | N03 | 115.3° | 111.6° |
| O40 | S02 | N03 | C37 | 14.7° | 153.9° |
| O40 | S02 | N03 | C04 | 110.7° | 26.1° |
| O40 | S02 | C38 | H382 | 97.2° | 51.6° |
| O40 | S02 | C38 | H381 | 23.0° | 171.6° |
| O01 | S02 | C38 | C39 | 18.9° | 68.4° |
| O01 | S02 | C38 | N03 | 120.7° | 111.6° |
| O01 | S02 | N03 | C37 | 134.6° | 26.1° |
| O01 | S02 | N03 | C04 | 9.2° | 153.9° |
| O01 | S02 | C38 | H382 | 138.7° | 171.6° |
| O01 | S02 | C38 | H381 | 101.0° | 51.6° |
| C39 | C38 | S02 | H382 | 119.9° | 120.0° |
| C39 | C38 | S02 | H381 | 119.9° | 120.0° |
| C39 | C38 | S02 | N03 | 101.8° | 180.0° |
| C39 | C38 | H382 | H381 | 120.3° | 120.0° |
| C38 | C39 | H392 | H393 | 120.0° | 120.0° |
| C38 | C39 | H392 | H391 | 120.0° | 120.1° |
| C38 | C39 | H393 | H391 | 120.0° | 120.0° |
| C38 | S02 | N03 | C37 | 105.1° | 90.0° |
| C38 | S02 | N03 | C04 | 129.5° | 90.0° |
| S02 | C38 | H382 | H381 | 120.3° | 120.0° |
| S02 | C38 | C39 | H392 | 180.0° | 60.0° |
| S02 | C38 | C39 | H393 | 60.0° | 60.0° |
| S02 | C38 | C39 | H391 | 60.0° | 180.0° |
| S02 | N03 | C37 | C04 | 139.1° | 180.0° |
| S02 | N03 | C37 | C05 | 145.6° | 155.3° |
| S02 | N03 | C04 | C05 | 144.6° | 155.3° |
| S02 | N03 | C04 | H042 | 28.5° | 90.3° |
| S02 | N03 | C04 | H041 | 99.2° | 41.0° |
| S02 | N03 | C37 | H372 | 98.3° | 41.1° |
| S02 | N03 | C37 | H371 | 29.5° | 90.3° |
| N03 | S02 | C38 | H382 | 18.1° | 60.0° |
| N03 | S02 | C38 | H381 | 138.3° | 60.0° |
| N03 | C37 | C05 | H372 | 116.1° | 114.3° |
| N03 | C37 | C05 | H371 | 116.2° | 114.4° |
| C37 | N03 | C04 | C05 | 6.5° | 24.7° |
| N03 | C37 | C05 | N09 | 125.7° | 90.8° |
| N03 | C37 | C05 | C06 | 110.9° | 138.0° |
| C37 | N03 | C04 | H042 | 109.6° | 89.7° |
| C37 | N03 | C04 | H041 | 122.6° | 139.0° |
| N03 | C37 | H372 | H371 | 130.3° | 131.9° |
| N03 | C04 | C05 | H042 | 116.1° | 114.3° |
| N03 | C04 | C05 | H041 | 116.1° | 114.4° |
| N03 | C04 | C05 | N09 | 124.2° | 90.9° |
| N03 | C04 | C05 | C06 | 105.4° | 137.9° |
| N03 | C04 | H042 | H041 | 130.3° | 131.8° |
| C04 | N03 | C37 | H372 | 122.6° | 138.9° |
| C04 | N03 | C37 | H371 | 109.6° | 89.7° |
| C37 | C05 | C04 | N09 | 117.8° | 114.5° |
| C37 | C05 | C04 | C06 | 111.8° | 114.3° |
| C37 | C05 | N09 | N36 | 38.3° | 8.9° |
| C37 | C05 | N09 | C06 | 122.8° | 131.6° |
| C37 | C05 | N09 | C10 | 150.8° | 170.9° |
| C37 | C05 | C06 | C07 | 175.8° | 86.8° |
| C37 | C05 | C04 | H042 | 109.6° | 90.7° |
| C37 | C05 | C04 | H041 | 122.6° | 138.1° |
| C37 | C05 | C06 | H061 | 55.4° | 153.3° |
| C37 | C05 | C06 | H062 | 63.7° | 33.3° |
| C05 | C37 | H372 | H371 | 130.3° | 131.7° |
| C04 | C05 | N09 | N36 | 142.7° | 105.6° |
| C04 | C05 | N09 | C06 | 132.9° | 131.6° |
| C04 | C05 | N09 | C10 | 46.5° | 74.2° |
| C04 | C05 | C06 | C07 | 74.7° | 176.6° |
| C05 | C04 | H042 | H041 | 130.4° | 131.7° |
| C04 | C05 | C06 | H061 | 45.7° | 56.6° |
| C04 | C05 | C06 | H062 | 164.8° | 63.4° |
| C04 | C05 | C37 | H372 | 122.6° | 137.9° |
| C04 | C05 | C37 | H371 | 109.7° | 90.8° |
| C27 | C26 | C25 | H262 | 120.2° | 120.0° |
| C27 | C26 | C25 | H261 | 120.2° | 119.9° |
| C26 | C27 | N28 | H271 | 120.6° | 120.0° |
| C26 | C27 | N28 | H272 | 120.6° | 120.0° |
| C27 | C26 | C25 | C24 | 176.3° | 177.5° |
| C27 | C26 | C25 | C31 | 54.3° | 57.6° |
| C26 | C27 | N28 | C29 | 81.3° | 62.4° |
| C26 | C27 | N28 | C30 | 46.5° | 61.7° |
| C27 | C26 | H262 | H261 | 119.3° | 120.1° |
| C27 | C26 | C25 | H251 | 65.6° | 62.3° |
| C26 | C27 | H271 | H272 | 118.1° | 120.0° |
| C25 | C26 | C27 | N28 | 49.2° | 59.2° |
| C26 | C25 | C24 | C32 | 32.7° | 60.3° |
| C26 | C25 | C24 | C31 | 123.8° | 119.7° |
| C26 | C25 | C24 | H251 | 119.0° | 120.1° |
| C26 | C25 | C31 | H251 | 119.8° | 119.9° |
| C26 | C25 | C24 | C23 | 150.7° | 120.0° |
| C26 | C25 | C31 | C30 | 56.7° | 57.7° |
| C25 | C26 | H262 | H261 | 119.4° | 120.1° |
| C25 | C26 | C27 | H271 | 169.8° | 179.2° |
| C25 | C26 | C27 | H272 | 71.4° | 60.8° |
| C26 | C25 | C31 | H311 | 177.3° | 177.6° |
| C26 | C25 | C31 | H312 | 63.8° | 62.3° |
| C27 | N28 | C29 | C30 | 130.2° | 124.2° |
| C27 | N28 | C30 | C31 | 46.5° | 61.7° |
| N28 | C27 | C26 | H262 | 169.4° | 60.8° |
| N28 | C27 | C26 | H261 | 71.0° | 179.1° |
| N28 | C27 | H271 | H272 | 118.1° | 119.9° |
| C27 | N28 | C29 | H293 | 180.0° | 60.0° |
| C27 | N28 | C29 | H291 | 60.0° | 180.0° |
| C27 | N28 | C29 | H292 | 60.0° | 60.0° |
| C27 | N28 | C30 | H301 | 166.8° | 58.3° |
| C27 | N28 | C30 | H302 | 73.8° | 178.3° |
| N36 | C35 | C11 | H351 | 180.0° | 180.0° |
| C35 | N36 | N09 | C05 | 175.1° | 179.8° |
| C35 | N36 | N09 | C10 | 2.8° | 0.3° |
| N36 | C35 | C11 | C10 | 6.1° | 0.0° |
| N36 | C35 | C11 | C12 | 173.8° | 180.0° |
| N09 | N36 | C35 | C11 | 2.2° | 0.2° |
| N36 | N09 | C05 | C10 | 170.8° | 179.8° |
| N36 | N09 | C05 | C06 | 84.4° | 122.8° |
| N36 | N09 | C10 | C11 | 6.6° | 0.4° |
| N36 | N09 | C10 | H101 | 173.5° | 179.9° |
| N09 | N36 | C35 | H351 | 177.8° | 179.8° |
| C35 | C11 | C10 | N09 | 7.6° | 0.2° |
| C35 | C11 | C10 | C12 | 166.9° | 180.0° |
| C35 | C11 | C12 | N34 | 3.8° | 145.0° |
| C35 | C11 | C12 | C13 | 177.5° | 35.0° |
| C35 | C11 | C10 | H101 | 172.4° | 180.0° |
| C05 | N09 | C10 | C11 | 178.2° | 179.8° |
| N09 | C05 | C06 | C07 | 58.5° | 45.0° |
| C05 | N09 | C10 | H101 | 1.8° | 0.0° |
| N09 | C05 | C04 | H042 | 8.1° | 154.8° |
| N09 | C05 | C04 | H041 | 119.6° | 23.6° |
| N09 | C05 | C06 | H061 | 178.9° | 75.0° |
| N09 | C05 | C06 | H062 | 62.0° | 165.0° |
| N09 | C05 | C37 | H372 | 118.1° | 23.5° |
| N09 | C05 | C37 | H371 | 9.6° | 154.8° |
| C10 | N09 | C05 | C06 | 86.4° | 57.4° |
| N09 | C10 | C11 | H101 | 180.0° | 179.8° |
| N09 | C10 | C11 | C12 | 174.5° | 179.8° |
| C05 | C06 | C07 | H061 | 120.4° | 120.0° |
| C05 | C06 | C07 | H062 | 120.5° | 120.0° |
| C05 | C06 | C07 | N08 | 57.7° | 29.4° |
| C06 | C05 | C04 | H042 | 138.5° | 23.6° |
| C06 | C05 | C04 | H041 | 10.8° | 107.6° |
| C05 | C06 | H061 | H062 | 118.7° | 120.0° |
| C06 | C05 | C37 | H372 | 5.2° | 107.8° |
| C06 | C05 | C37 | H371 | 132.9° | 23.5° |
| C10 | C11 | C12 | N34 | 161.0° | 35.0° |
| C10 | C11 | C12 | C13 | 12.6° | 145.0° |
| C10 | C11 | C35 | H351 | 173.8° | 180.0° |
| C11 | C12 | N34 | C13 | 174.0° | 180.0° |
| C11 | C12 | C13 | C14 | 8.5° | 0.3° |
| C11 | C12 | N34 | C19 | 174.1° | 180.0° |
| C11 | C12 | C13 | C17 | 174.3° | 179.9° |
| C12 | C11 | C10 | H101 | 5.5° | 0.0° |
| C12 | C11 | C35 | H351 | 6.2° | 0.0° |
| N34 | C12 | C13 | C14 | 178.1° | 179.7° |
| N34 | C12 | C13 | C17 | 0.9° | 0.1° |
| C12 | N34 | C19 | N20 | 177.7° | 180.0° |
| C12 | N34 | C19 | N18 | 0.2° | 0.1° |
| C12 | C13 | C14 | C17 | 177.4° | 179.8° |
| C12 | C13 | C14 | C15 | 178.7° | 179.7° |
| C13 | C12 | N34 | C19 | 0.1° | 0.0° |
| C12 | C13 | C17 | N18 | 1.4° | 0.1° |
| C12 | C13 | C17 | N16 | 177.7° | 180.0° |
| C12 | C13 | C14 | H141 | 1.3° | 0.2° |
| C33 | C32 | C24 | H321 | 180.0° | 180.0° |
| C32 | C33 | C21 | H331 | 180.0° | 179.9° |
| C33 | C32 | C24 | C25 | 179.4° | 180.0° |
| C33 | C32 | C24 | C23 | 2.8° | 0.3° |
| C32 | C33 | C21 | N20 | 179.2° | 180.0° |
| C32 | C33 | C21 | C22 | 2.4° | 0.2° |
| C24 | C32 | C33 | C21 | 2.0° | 0.0° |
| C32 | C24 | C25 | C23 | 176.5° | 179.7° |
| C32 | C24 | C25 | C31 | 91.1° | 59.4° |
| C32 | C24 | C23 | C22 | 4.0° | 0.2° |
| C32 | C24 | C23 | H231 | 176.0° | 179.7° |
| C32 | C24 | C25 | H251 | 151.8° | 179.6° |
| C24 | C32 | C33 | H331 | 178.0° | 179.9° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | N16 | 2.3° | 0.3° |
| C14 | C13 | C17 | N18 | 179.4° | 179.8° |
| C14 | C13 | C17 | N16 | 4.3° | 0.2° |
| C13 | C14 | C15 | H151 | 177.7° | 179.9° |
| C15 | C14 | C13 | C17 | 3.9° | 0.1° |
| C14 | C15 | N16 | H151 | 180.0° | 179.6° |
| C14 | C15 | N16 | C17 | 0.3° | 0.4° |
| C14 | C15 | N16 | H161 | 179.7° | 179.9° |
| C33 | C21 | N20 | C22 | 178.5° | 179.8° |
| C33 | C21 | N20 | C19 | 3.5° | 33.1° |
| C33 | C21 | C22 | C23 | 3.6° | 0.3° |
| C33 | C21 | C22 | H221 | 176.5° | 179.8° |
| C21 | C33 | C32 | H321 | 178.0° | 180.0° |
| C33 | C21 | N20 | H201 | 176.5° | 146.9° |
| N34 | C19 | N20 | C21 | 3.3° | 174.4° |
| N34 | C19 | N20 | N18 | 177.8° | 179.9° |
| N34 | C19 | N18 | C17 | 0.3° | 0.1° |
| N34 | C19 | N20 | H201 | 176.7° | 5.7° |
| C24 | C25 | C31 | H251 | 116.1° | 120.2° |
| C25 | C24 | C23 | C22 | 179.3° | 179.9° |
| C24 | C25 | C31 | C30 | 179.2° | 177.5° |
| C24 | C25 | C26 | H262 | 63.5° | 57.6° |
| C24 | C25 | C26 | H261 | 56.1° | 62.5° |
| C25 | C24 | C23 | H231 | 0.7° | 0.0° |
| C24 | C25 | C31 | H311 | 58.6° | 62.5° |
| C24 | C25 | C31 | H312 | 60.3° | 57.6° |
| C25 | C24 | C32 | H321 | 0.6° | 0.0° |
| C31 | C25 | C24 | C23 | 85.5° | 120.4° |
| C25 | C31 | C30 | N28 | 51.6° | 59.2° |
| C25 | C31 | C30 | H311 | 120.6° | 119.9° |
| C25 | C31 | C30 | H312 | 120.6° | 120.0° |
| C31 | C25 | C26 | H262 | 174.4° | 62.3° |
| C31 | C25 | C26 | H261 | 65.9° | 177.6° |
| C25 | C31 | C30 | H301 | 171.9° | 60.8° |
| C25 | C31 | C30 | H302 | 68.7° | 179.2° |
| C25 | C31 | H311 | H312 | 118.2° | 120.1° |
| C13 | C17 | N18 | C19 | 1.1° | 0.0° |
| C13 | C17 | N16 | C15 | 2.9° | 0.3° |
| C13 | C17 | N18 | N16 | 175.5° | 179.9° |
| C17 | C13 | C14 | H141 | 176.1° | 180.0° |
| C13 | C17 | N16 | H161 | 177.0° | 180.0° |
| C24 | C23 | C22 | C21 | 4.4° | 0.0° |
| C24 | C23 | C22 | H231 | 180.0° | 180.0° |
| C24 | C23 | C22 | H221 | 175.6° | 179.9° |
| C23 | C24 | C25 | H251 | 31.7° | 0.1° |
| C23 | C24 | C32 | H321 | 177.1° | 179.7° |
| C21 | N20 | C19 | H201 | 180.0° | 179.9° |
| C21 | N20 | C19 | N18 | 178.9° | 5.5° |
| N20 | C21 | C22 | C23 | 177.9° | 179.9° |
| N20 | C21 | C22 | H221 | 2.1° | 0.1° |
| N20 | C21 | C33 | H331 | 0.8° | 0.1° |
| C22 | C21 | N20 | C19 | 178.0° | 147.1° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | H231 | 175.6° | 180.0° |
| C22 | C21 | C33 | H331 | 177.6° | 179.6° |
| C22 | C21 | N20 | H201 | 2.0° | 32.8° |
| N20 | C19 | N18 | C17 | 177.3° | 180.0° |
| C19 | N18 | C17 | N16 | 176.7° | 179.9° |
| N18 | C19 | N20 | H201 | 1.0° | 174.4° |
| C15 | N16 | C17 | N18 | 178.8° | 179.6° |
| C15 | N16 | C17 | H161 | 180.0° | 179.6° |
| N16 | C15 | C14 | H141 | 177.7° | 179.7° |
| N18 | C17 | N16 | H161 | 1.2° | 0.1° |
| C17 | N16 | C15 | H151 | 179.7° | 180.0° |
| C29 | N28 | C30 | C31 | 81.7° | 62.3° |
| C29 | N28 | C27 | H271 | 39.3° | 57.7° |
| C29 | N28 | C27 | H272 | 158.0° | 177.6° |
| N28 | C29 | H293 | H291 | 120.0° | 119.9° |
| N28 | C29 | H293 | H292 | 120.0° | 120.0° |
| N28 | C29 | H291 | H292 | 120.0° | 120.0° |
| C29 | N28 | C30 | H301 | 38.6° | 177.7° |
| C29 | N28 | C30 | H302 | 158.0° | 57.7° |
| N28 | C30 | C31 | H301 | 120.3° | 120.0° |
| N28 | C30 | C31 | H302 | 120.3° | 120.0° |
| C30 | N28 | C27 | H271 | 167.0° | 178.2° |
| C30 | N28 | C27 | H272 | 74.2° | 58.3° |
| C30 | N28 | C29 | H293 | 49.8° | 175.8° |
| C30 | N28 | C29 | H291 | 70.2° | 55.8° |
| C30 | N28 | C29 | H292 | 169.8° | 64.1° |
| N28 | C30 | H301 | H302 | 119.1° | 120.0° |
| N28 | C30 | C31 | H311 | 172.1° | 179.2° |
| N28 | C30 | C31 | H312 | 69.0° | 60.8° |
| C07 | C06 | H061 | H062 | 118.6° | 120.0° |
| C30 | C31 | C25 | H251 | 63.0° | 62.2° |
| C31 | C30 | H301 | H302 | 119.1° | 120.0° |
| C30 | C31 | H311 | H312 | 118.3° | 120.1° |
| N08 | C07 | C06 | H061 | 178.1° | 90.6° |
| N08 | C07 | C06 | H062 | 62.8° | 149.4° |
| H151 | C15 | C14 | H141 | 2.3° | 0.2° |
| H151 | C15 | N16 | H161 | 0.3° | 0.4° |
| H221 | C22 | C23 | H231 | 4.4° | 0.1° |
| H262 | C26 | C25 | H251 | 54.6° | 177.7° |
| H262 | C26 | C27 | H271 | 70.0° | 59.2° |
| H262 | C26 | C27 | H272 | 48.8° | 179.2° |
| H261 | C26 | C25 | H251 | 174.2° | 57.6° |
| H261 | C26 | C27 | H271 | 49.6° | 60.9° |
| H261 | C26 | C27 | H272 | 168.4° | 59.1° |
| H251 | C25 | C31 | H311 | 57.5° | 57.7° |
| H251 | C25 | C31 | H312 | 176.4° | 177.8° |
| H293 | C29 | H291 | H292 | 119.9° | 120.0° |
| H301 | C30 | C31 | H311 | 67.5° | 59.1° |
| H301 | C30 | C31 | H312 | 51.3° | 179.2° |
| H302 | C30 | C31 | H311 | 51.8° | 60.9° |
| H302 | C30 | C31 | H312 | 170.7° | 59.2° |
| H321 | C32 | C33 | H331 | 2.0° | 0.1° |
| H382 | C38 | C39 | H392 | 60.1° | 60.0° |
| H382 | C38 | C39 | H393 | 59.9° | 180.0° |
| H382 | C38 | C39 | H391 | 179.9° | 60.0° |
| H381 | C38 | C39 | H392 | 60.1° | 180.0° |
| H381 | C38 | C39 | H393 | 179.9° | 60.0° |
| H381 | C38 | C39 | H391 | 59.9° | 60.0° |
| H392 | C39 | H393 | H391 | 120.0° | 119.9° |
