H01
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C11 | sing | 1.39Å | 1.35Å | |
| N1 | C14 | sing | 1.39Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C11 | C45 | doub | 1.36Å | 1.39Å | |
| C11 | C12 | sing | 1.42Å | 1.39Å | |
| C12 | S1 | sing | 1.76Å | 1.77Å | |
| C12 | C13 | doub | 1.35Å | 1.38Å | |
| O1 | S1 | doub | 1.42Å | 1.50Å | |
| O2 | S1 | doub | 1.42Å | 1.50Å | |
| C13 | C14 | sing | 1.42Å | 1.39Å | |
| C13 | C26 | sing | 1.51Å | 1.55Å | |
| C15 | C21 | sing | 1.46Å | 1.39Å | |
| C15 | C14 | doub | 1.36Å | 1.38Å | |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | C23 | sing | 1.51Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| O3 | S1 | sing | 1.52Å | 1.51Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | S2 | sing | 1.52Å | 1.51Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C21 | N2 | sing | 1.37Å | 1.35Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.37Å | Aromatic |
| C22 | S2 | sing | 1.76Å | 1.77Å | |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.46Å | 1.39Å | |
| C24 | N2 | sing | 1.37Å | 1.35Å | Aromatic |
| C25 | C31 | doub | 1.36Å | 1.39Å | |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| O41 | C49 | doub | 1.21Å | 1.25Å | |
| C49 | O42 | sing | 1.34Å | 1.26Å | |
| C49 | C48 | sing | 1.51Å | 1.51Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| C48 | C47 | sing | 1.53Å | 1.52Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C47 | C33 | sing | 1.51Å | 1.53Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C33 | C32 | doub | 1.35Å | 1.37Å | |
| C33 | C34 | sing | 1.42Å | 1.40Å | |
| C32 | C46 | sing | 1.51Å | 1.54Å | |
| C32 | C31 | sing | 1.42Å | 1.39Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C31 | N3 | sing | 1.39Å | 1.35Å | |
| N3 | C34 | sing | 1.39Å | 1.35Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | doub | 1.36Å | 1.39Å | |
| C35 | C41 | sing | 1.46Å | 1.40Å | |
| C35 | H35 | sing | 1.09Å | 1.08Å | |
| C41 | C42 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | N4 | sing | 1.37Å | 1.34Å | Aromatic |
| N4 | C44 | sing | 1.38Å | 1.34Å | Aromatic |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C42 | C37 | sing | 1.51Å | 1.56Å | |
| C42 | C43 | sing | 1.40Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.51Å | 1.53Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | O31 | doub | 1.21Å | 1.25Å | |
| C39 | O32 | sing | 1.34Å | 1.25Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| C43 | C36 | sing | 1.51Å | 1.54Å | |
| C43 | C44 | doub | 1.39Å | 1.38Å | Aromatic |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.46Å | 1.39Å | |
| C45 | H45 | sing | 1.09Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| S2 | O6 | doub | 1.42Å | 1.49Å | |
| S2 | O5 | doub | 1.42Å | 1.50Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N1 | C14 | 109.1° | 107.8° |
| C11 | N1 | HN1 | 125.5° | 126.1° |
| N1 | C11 | C45 | 124.0° | 128.1° |
| N1 | C11 | C12 | 108.1° | 107.7° |
| C14 | N1 | HN1 | 125.4° | 126.1° |
| N1 | C14 | C13 | 108.6° | 107.7° |
| N1 | C14 | C15 | 124.6° | 127.7° |
| C45 | C11 | C12 | 127.8° | 124.1° |
| C11 | C45 | C44 | 128.4° | 122.7° |
| C11 | C45 | H45 | 115.8° | 118.2° |
| C11 | C12 | S1 | 125.5° | 125.8° |
| C11 | C12 | C13 | 107.2° | 108.4° |
| S1 | C12 | C13 | 127.3° | 125.8° |
| C12 | S1 | O1 | 109.7° | 106.4° |
| C12 | S1 | O2 | 111.3° | 106.4° |
| C12 | S1 | O3 | 109.4° | 107.2° |
| C12 | C13 | C14 | 107.0° | 108.4° |
| C12 | C13 | C26 | 127.8° | 125.8° |
| O1 | S1 | O2 | 108.6° | 123.2° |
| O1 | S1 | O3 | 109.0° | 106.4° |
| O2 | S1 | O3 | 108.7° | 106.4° |
| C14 | C13 | C26 | 125.2° | 125.8° |
| C13 | C14 | C15 | 126.8° | 124.6° |
| C13 | C26 | H261 | 109.5° | 109.5° |
| C13 | C26 | H262 | 109.5° | 109.5° |
| C13 | C26 | H263 | 109.4° | 109.4° |
| C21 | C15 | C14 | 130.4° | 122.4° |
| C21 | C15 | H15 | 114.8° | 118.4° |
| C15 | C21 | N2 | 125.1° | 127.8° |
| C15 | C21 | C22 | 126.6° | 124.2° |
| C14 | C15 | H15 | 114.8° | 119.1° |
| C23 | C16 | H161 | 109.5° | 109.5° |
| C23 | C16 | H162 | 109.4° | 109.5° |
| C23 | C16 | H163 | 109.5° | 109.5° |
| C16 | C23 | C22 | 125.8° | 126.2° |
| C16 | C23 | C24 | 127.1° | 126.2° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.4° |
| S1 | O3 | HO3 | 109.5° | 114.0° |
| S2 | O4 | HO4 | 109.5° | 114.0° |
| O4 | S2 | C22 | 110.9° | 107.2° |
| O4 | S2 | O6 | 109.0° | 106.4° |
| O4 | S2 | O5 | 108.8° | 106.4° |
| N2 | C21 | C22 | 108.3° | 108.0° |
| C21 | N2 | C24 | 109.1° | 108.8° |
| C21 | N2 | HN2 | 125.5° | 125.6° |
| C21 | C22 | C23 | 107.6° | 107.6° |
| C21 | C22 | S2 | 125.7° | 126.2° |
| C23 | C22 | S2 | 126.7° | 126.2° |
| C22 | C23 | C24 | 107.1° | 107.6° |
| C22 | S2 | O6 | 108.3° | 106.4° |
| C22 | S2 | O5 | 110.4° | 106.3° |
| C23 | C24 | C25 | 128.5° | 124.2° |
| C23 | C24 | N2 | 108.0° | 108.0° |
| C25 | C24 | N2 | 123.6° | 127.8° |
| C24 | C25 | C31 | 127.9° | 122.4° |
| C24 | C25 | H25 | 116.1° | 118.6° |
| C24 | N2 | HN2 | 125.5° | 125.6° |
| C31 | C25 | H25 | 116.1° | 119.0° |
| C25 | C31 | C32 | 127.8° | 124.6° |
| C25 | C31 | N3 | 124.1° | 127.7° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| O41 | C49 | O42 | 127.5° | 120.0° |
| O41 | C49 | C48 | 115.6° | 120.0° |
| O42 | C49 | C48 | 116.9° | 120.0° |
| C49 | O42 | HO42 | 109.5° | 116.9° |
| C49 | C48 | C47 | 112.0° | 109.5° |
| C49 | C48 | H481 | 108.6° | 109.4° |
| C49 | C48 | H482 | 108.1° | 109.5° |
| C47 | C48 | H481 | 108.7° | 109.5° |
| C47 | C48 | H482 | 108.1° | 109.5° |
| C48 | C47 | C33 | 107.2° | 109.5° |
| C48 | C47 | H471 | 110.3° | 109.4° |
| C48 | C47 | H472 | 110.7° | 109.5° |
| H481 | C48 | H482 | 111.4° | 109.5° |
| C33 | C47 | H471 | 110.2° | 109.5° |
| C33 | C47 | H472 | 110.7° | 109.5° |
| C47 | C33 | C32 | 126.5° | 125.8° |
| C47 | C33 | C34 | 127.5° | 125.8° |
| H471 | C47 | H472 | 107.7° | 109.5° |
| C32 | C33 | C34 | 106.0° | 108.4° |
| C33 | C32 | C46 | 125.1° | 125.8° |
| C33 | C32 | C31 | 108.4° | 108.4° |
| C33 | C34 | N3 | 108.8° | 107.7° |
| C33 | C34 | C35 | 126.4° | 124.1° |
| C46 | C32 | C31 | 126.4° | 125.8° |
| C32 | C46 | H461 | 109.5° | 109.5° |
| C32 | C46 | H462 | 109.5° | 109.5° |
| C32 | C46 | H463 | 109.5° | 109.5° |
| C32 | C31 | N3 | 108.1° | 107.7° |
| H461 | C46 | H462 | 109.4° | 109.4° |
| H461 | C46 | H463 | 109.5° | 109.5° |
| H462 | C46 | H463 | 109.5° | 109.5° |
| C31 | N3 | C34 | 108.6° | 107.8° |
| C31 | N3 | HN3 | 125.7° | 126.1° |
| C34 | N3 | HN3 | 125.7° | 126.0° |
| N3 | C34 | C35 | 124.8° | 128.2° |
| C34 | C35 | C41 | 132.8° | 122.7° |
| C34 | C35 | H35 | 113.6° | 118.3° |
| C41 | C35 | H35 | 113.6° | 119.1° |
| C35 | C41 | C42 | 128.7° | 124.6° |
| C35 | C41 | N4 | 122.6° | 127.4° |
| C42 | C41 | N4 | 108.6° | 108.0° |
| C41 | C42 | C37 | 129.7° | 126.2° |
| C41 | C42 | C43 | 105.2° | 107.6° |
| C41 | N4 | C44 | 109.6° | 108.8° |
| C41 | N4 | HN4 | 125.2° | 125.7° |
| C44 | N4 | HN4 | 125.2° | 125.6° |
| N4 | C44 | C43 | 107.9° | 107.9° |
| N4 | C44 | C45 | 124.5° | 127.5° |
| C37 | C42 | C43 | 125.1° | 126.2° |
| C42 | C37 | C38 | 114.4° | 109.5° |
| C42 | C37 | H371 | 107.9° | 109.4° |
| C42 | C37 | H372 | 106.8° | 109.4° |
| C42 | C43 | C36 | 126.9° | 126.2° |
| C42 | C43 | C44 | 108.7° | 107.6° |
| C38 | C37 | H371 | 107.9° | 109.5° |
| C38 | C37 | H372 | 106.7° | 109.5° |
| C37 | C38 | C39 | 113.0° | 109.4° |
| C37 | C38 | H381 | 108.3° | 109.5° |
| C37 | C38 | H382 | 107.6° | 109.5° |
| H371 | C37 | H372 | 113.4° | 109.4° |
| C39 | C38 | H381 | 108.3° | 109.5° |
| C39 | C38 | H382 | 107.5° | 109.4° |
| C38 | C39 | O31 | 116.5° | 120.0° |
| C38 | C39 | O32 | 117.7° | 120.0° |
| H381 | C38 | H382 | 112.2° | 109.5° |
| O31 | C39 | O32 | 125.8° | 119.9° |
| C39 | O32 | HO32 | 109.5° | 117.1° |
| C36 | C43 | C44 | 124.4° | 126.2° |
| C43 | C36 | H361 | 109.5° | 109.5° |
| C43 | C36 | H362 | 109.5° | 109.4° |
| C43 | C36 | H363 | 109.4° | 109.4° |
| C43 | C44 | C45 | 127.6° | 124.6° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| C44 | C45 | H45 | 115.8° | 119.1° |
| O6 | S2 | O5 | 109.4° | 123.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N1 | C14 | HN1 | 180.0° | 179.7° |
| N1 | C11 | C45 | C12 | 179.7° | 179.8° |
| N1 | C11 | C12 | S1 | 179.4° | 179.1° |
| N1 | C11 | C12 | C13 | 0.2° | 1.0° |
| C11 | N1 | C14 | C13 | 0.8° | 1.8° |
| C11 | N1 | C14 | C15 | 178.4° | 177.8° |
| N1 | C11 | C45 | C44 | 1.8° | 1.1° |
| N1 | C11 | C45 | H45 | 178.3° | 178.8° |
| C14 | N1 | C11 | C45 | 179.1° | 178.5° |
| C14 | N1 | C11 | C12 | 0.6° | 1.7° |
| N1 | C14 | C13 | C12 | 0.7° | 1.2° |
| N1 | C14 | C13 | C15 | 177.6° | 179.6° |
| N1 | C14 | C13 | C26 | 179.8° | 178.8° |
| N1 | C14 | C15 | C21 | 19.8° | 0.6° |
| N1 | C14 | C15 | H15 | 160.2° | 179.5° |
| HN1 | N1 | C11 | C45 | 0.9° | 1.8° |
| HN1 | N1 | C11 | C12 | 179.4° | 178.0° |
| HN1 | N1 | C14 | C13 | 179.2° | 178.0° |
| HN1 | N1 | C14 | C15 | 1.5° | 2.4° |
| C45 | C11 | C12 | S1 | 0.3° | 0.7° |
| C45 | C11 | C12 | C13 | 179.5° | 179.2° |
| C11 | C45 | C44 | N4 | 12.3° | 3.9° |
| C11 | C45 | C44 | C43 | 168.3° | 176.6° |
| C11 | C45 | C44 | H45 | 180.0° | 179.9° |
| C11 | C12 | S1 | C13 | 179.1° | 179.9° |
| C11 | C12 | S1 | O1 | 51.5° | 43.6° |
| C11 | C12 | S1 | O2 | 68.7° | 176.5° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| C11 | C12 | C13 | C26 | 179.9° | 179.8° |
| C11 | C12 | S1 | O3 | 171.1° | 69.9° |
| C12 | C11 | C45 | C44 | 178.5° | 178.7° |
| C12 | C11 | C45 | H45 | 1.4° | 1.4° |
| C12 | S1 | O1 | O2 | 121.8° | 122.9° |
| C12 | S1 | O1 | O3 | 119.8° | 114.1° |
| C12 | S1 | O2 | O3 | 120.6° | 114.1° |
| S1 | C12 | C13 | C14 | 178.9° | 179.8° |
| S1 | C12 | C13 | C26 | 0.6° | 0.2° |
| C12 | S1 | O3 | HO3 | 111.8° | 180.0° |
| C13 | C12 | S1 | O1 | 127.5° | 136.5° |
| C13 | C12 | S1 | O2 | 112.2° | 3.6° |
| C12 | C13 | C14 | C26 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 178.2° | 178.5° |
| C13 | C12 | S1 | O3 | 7.9° | 110.0° |
| C12 | C13 | C26 | H261 | 67.4° | 90.0° |
| C12 | C13 | C26 | H262 | 52.6° | 150.0° |
| C12 | C13 | C26 | H263 | 172.6° | 30.0° |
| O1 | S1 | O2 | O3 | 118.5° | 123.0° |
| O1 | S1 | O3 | HO3 | 128.2° | 66.5° |
| O2 | S1 | O3 | HO3 | 9.9° | 66.5° |
| C13 | C14 | C15 | C21 | 162.9° | 179.9° |
| C13 | C14 | C15 | H15 | 17.0° | 0.1° |
| C14 | C13 | C26 | H261 | 113.1° | 90.0° |
| C14 | C13 | C26 | H262 | 126.9° | 30.0° |
| C14 | C13 | C26 | H263 | 6.9° | 150.0° |
| C26 | C13 | C14 | C15 | 2.2° | 1.6° |
| C13 | C26 | H261 | H262 | 120.0° | 120.0° |
| C13 | C26 | H261 | H263 | 120.0° | 119.9° |
| C13 | C26 | H262 | H263 | 120.0° | 120.0° |
| C21 | C15 | C14 | H15 | 180.0° | 179.9° |
| C15 | C21 | N2 | C22 | 179.2° | 179.6° |
| C15 | C21 | C22 | C23 | 180.0° | 179.4° |
| C15 | C21 | C22 | S2 | 1.2° | 0.6° |
| C15 | C21 | N2 | C24 | 179.8° | 178.8° |
| C15 | C21 | N2 | HN2 | 0.2° | 1.1° |
| C14 | C15 | C21 | N2 | 12.1° | 4.8° |
| C14 | C15 | C21 | C22 | 168.8° | 174.8° |
| H15 | C15 | C21 | N2 | 167.9° | 175.1° |
| H15 | C15 | C21 | C22 | 11.2° | 5.3° |
| C23 | C16 | H161 | H162 | 120.0° | 120.0° |
| C23 | C16 | H161 | H163 | 120.0° | 120.0° |
| C23 | C16 | H162 | H163 | 120.0° | 120.0° |
| C16 | C23 | C22 | C21 | 179.7° | 179.9° |
| C16 | C23 | C22 | C24 | 179.5° | 179.9° |
| C16 | C23 | C22 | S2 | 1.0° | 0.0° |
| C16 | C23 | C24 | C25 | 0.9° | 1.1° |
| C16 | C23 | C24 | N2 | 179.9° | 179.1° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H161 | C16 | C23 | C22 | 153.9° | 90.0° |
| H161 | C16 | C23 | C24 | 26.7° | 89.9° |
| H162 | C16 | C23 | C22 | 86.1° | 150.0° |
| H162 | C16 | C23 | C24 | 93.3° | 30.1° |
| H163 | C16 | C23 | C22 | 33.9° | 30.0° |
| H163 | C16 | C23 | C24 | 146.7° | 150.0° |
| O4 | S2 | C22 | C21 | 11.4° | 90.0° |
| O4 | S2 | C22 | C23 | 170.0° | 90.0° |
| O4 | S2 | C22 | O6 | 119.6° | 113.6° |
| O4 | S2 | C22 | O5 | 120.7° | 113.5° |
| O4 | S2 | O6 | O5 | 118.9° | 123.0° |
| HO4 | O4 | S2 | C22 | 127.6° | 180.0° |
| HO4 | O4 | S2 | O6 | 113.3° | 66.5° |
| HO4 | O4 | S2 | O5 | 6.0° | 66.5° |
| N2 | C21 | C22 | C23 | 0.8° | 0.9° |
| N2 | C21 | C22 | S2 | 179.6° | 179.1° |
| C21 | N2 | C24 | C23 | 0.1° | 1.5° |
| C21 | N2 | C24 | C25 | 179.2° | 178.3° |
| C21 | N2 | C24 | HN2 | 180.0° | 180.0° |
| C21 | C22 | C23 | S2 | 178.8° | 180.0° |
| C21 | C22 | C23 | C24 | 0.8° | 0.0° |
| C22 | C21 | N2 | C24 | 0.5° | 1.5° |
| C22 | C21 | N2 | HN2 | 179.4° | 178.5° |
| C21 | C22 | S2 | O6 | 108.1° | 156.4° |
| C21 | C22 | S2 | O5 | 132.1° | 23.5° |
| C22 | C23 | C24 | C25 | 179.7° | 178.9° |
| C22 | C23 | C24 | N2 | 0.4° | 0.9° |
| C23 | C22 | S2 | O6 | 70.4° | 23.6° |
| C23 | C22 | S2 | O5 | 49.3° | 156.5° |
| S2 | C22 | C23 | C24 | 179.5° | 180.0° |
| C22 | S2 | O6 | O5 | 120.4° | 122.9° |
| C23 | C24 | C25 | N2 | 179.1° | 179.7° |
| C23 | C24 | C25 | C31 | 171.7° | 176.2° |
| C23 | C24 | C25 | H25 | 8.3° | 3.8° |
| C23 | C24 | N2 | HN2 | 179.9° | 178.5° |
| C24 | C25 | C31 | H25 | 180.0° | 180.0° |
| C24 | C25 | C31 | C32 | 171.8° | 178.9° |
| C24 | C25 | C31 | N3 | 7.7° | 1.5° |
| C25 | C24 | N2 | HN2 | 0.8° | 1.7° |
| N2 | C24 | C25 | C31 | 9.2° | 4.1° |
| N2 | C24 | C25 | H25 | 170.8° | 176.0° |
| C25 | C31 | C32 | C33 | 179.4° | 178.7° |
| C25 | C31 | C32 | C46 | 0.4° | 1.3° |
| C25 | C31 | C32 | N3 | 179.6° | 179.7° |
| C25 | C31 | N3 | C34 | 179.7° | 178.0° |
| C25 | C31 | N3 | HN3 | 0.3° | 1.9° |
| H25 | C25 | C31 | C32 | 8.2° | 1.1° |
| H25 | C25 | C31 | N3 | 172.3° | 178.5° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| O41 | C49 | O42 | C48 | 178.8° | 180.0° |
| O41 | C49 | O42 | HO42 | 0.0° | 0.0° |
| O41 | C49 | C48 | C47 | 75.8° | 0.0° |
| O41 | C49 | C48 | H481 | 44.3° | 120.0° |
| O41 | C49 | C48 | H482 | 165.3° | 120.0° |
| O42 | C49 | C48 | C47 | 105.3° | 180.0° |
| O42 | C49 | C48 | H481 | 134.6° | 60.0° |
| O42 | C49 | C48 | H482 | 13.6° | 60.0° |
| C48 | C49 | O42 | HO42 | 178.8° | 180.0° |
| C49 | C48 | C47 | H481 | 120.0° | 120.0° |
| C49 | C48 | C47 | H482 | 119.0° | 120.0° |
| C49 | C48 | H481 | H482 | 119.0° | 120.0° |
| C49 | C48 | C47 | C33 | 173.9° | 180.0° |
| C49 | C48 | C47 | H471 | 53.9° | 60.0° |
| C49 | C48 | C47 | H472 | 65.2° | 60.0° |
| C47 | C48 | H481 | H482 | 119.0° | 120.0° |
| C48 | C47 | C33 | H471 | 120.0° | 120.0° |
| C48 | C47 | C33 | H472 | 120.9° | 120.0° |
| C48 | C47 | H471 | H472 | 120.9° | 120.0° |
| C48 | C47 | C33 | C32 | 99.4° | 95.0° |
| C48 | C47 | C33 | C34 | 77.9° | 85.0° |
| H481 | C48 | C47 | C33 | 66.1° | 60.0° |
| H481 | C48 | C47 | H471 | 173.9° | 180.0° |
| H481 | C48 | C47 | H472 | 54.8° | 60.0° |
| H482 | C48 | C47 | C33 | 54.9° | 60.0° |
| H482 | C48 | C47 | H471 | 65.1° | 60.0° |
| H482 | C48 | C47 | H472 | 175.8° | 180.0° |
| C33 | C47 | H471 | H472 | 120.9° | 120.0° |
| C47 | C33 | C32 | C34 | 177.8° | 180.0° |
| C47 | C33 | C32 | C46 | 1.8° | 0.1° |
| C47 | C33 | C32 | C31 | 179.2° | 179.9° |
| C47 | C33 | C34 | N3 | 179.1° | 178.9° |
| C47 | C33 | C34 | C35 | 1.7° | 1.7° |
| H471 | C47 | C33 | C32 | 140.5° | 25.0° |
| H471 | C47 | C33 | C34 | 42.1° | 155.0° |
| H472 | C47 | C33 | C32 | 21.5° | 145.0° |
| H472 | C47 | C33 | C34 | 161.2° | 35.0° |
| C33 | C32 | C46 | C31 | 178.8° | 179.9° |
| C33 | C32 | C46 | H461 | 45.7° | 90.0° |
| C33 | C32 | C46 | H462 | 74.2° | 150.0° |
| C33 | C32 | C46 | H463 | 165.7° | 30.0° |
| C33 | C32 | C31 | N3 | 0.9° | 0.9° |
| C32 | C33 | C34 | N3 | 1.3° | 1.2° |
| C32 | C33 | C34 | C35 | 179.5° | 178.3° |
| C34 | C33 | C32 | C46 | 179.6° | 179.9° |
| C34 | C33 | C32 | C31 | 1.4° | 0.1° |
| C33 | C34 | N3 | C31 | 0.8° | 1.8° |
| C33 | C34 | N3 | C35 | 179.2° | 179.5° |
| C33 | C34 | N3 | HN3 | 179.2° | 178.3° |
| C33 | C34 | C35 | C41 | 173.0° | 179.6° |
| C33 | C34 | C35 | H35 | 7.0° | 0.4° |
| C32 | C46 | H461 | H462 | 120.0° | 120.0° |
| C32 | C46 | H461 | H463 | 120.0° | 120.0° |
| C32 | C46 | H462 | H463 | 120.0° | 120.0° |
| C46 | C32 | C31 | N3 | 179.9° | 179.0° |
| C31 | C32 | C46 | H461 | 133.1° | 90.0° |
| C31 | C32 | C46 | H462 | 107.0° | 30.0° |
| C31 | C32 | C46 | H463 | 13.1° | 150.0° |
| C32 | C31 | N3 | C34 | 0.1° | 1.7° |
| C32 | C31 | N3 | HN3 | 179.9° | 178.4° |
| H461 | C46 | H462 | H463 | 120.0° | 120.0° |
| C31 | N3 | C34 | HN3 | 180.0° | 179.9° |
| C31 | N3 | C34 | C35 | 180.0° | 177.7° |
| N3 | C34 | C35 | C41 | 6.1° | 1.0° |
| N3 | C34 | C35 | H35 | 173.9° | 179.0° |
| HN3 | N3 | C34 | C35 | 0.0° | 2.2° |
| C34 | C35 | C41 | H35 | 180.0° | 180.0° |
| C34 | C35 | C41 | C42 | 178.9° | 175.9° |
| C34 | C35 | C41 | N4 | 1.1° | 4.2° |
| C35 | C41 | C42 | N4 | 180.0° | 179.9° |
| C35 | C41 | N4 | C44 | 179.8° | 178.9° |
| C35 | C41 | N4 | HN4 | 0.2° | 1.1° |
| C35 | C41 | C42 | C37 | 1.0° | 0.7° |
| C35 | C41 | C42 | C43 | 179.9° | 179.3° |
| H35 | C35 | C41 | C42 | 1.1° | 4.1° |
| H35 | C35 | C41 | N4 | 178.9° | 175.8° |
| C42 | C41 | N4 | C44 | 0.1° | 1.0° |
| C42 | C41 | N4 | HN4 | 179.9° | 179.0° |
| C41 | C42 | C37 | C43 | 179.0° | 179.9° |
| C41 | C42 | C37 | C38 | 33.0° | 89.9° |
| C41 | C42 | C37 | H371 | 153.0° | 150.0° |
| C41 | C42 | C37 | H372 | 84.8° | 30.1° |
| C41 | C42 | C43 | C36 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.0° | 0.0° |
| C41 | N4 | C44 | HN4 | 180.0° | 179.9° |
| N4 | C41 | C42 | C37 | 179.1° | 179.4° |
| N4 | C41 | C42 | C43 | 0.1° | 0.6° |
| C41 | N4 | C44 | C43 | 0.1° | 1.1° |
| C41 | N4 | C44 | C45 | 179.4° | 178.5° |
| N4 | C44 | C43 | C42 | 0.1° | 0.7° |
| N4 | C44 | C43 | C36 | 179.9° | 179.3° |
| N4 | C44 | C43 | C45 | 179.5° | 179.6° |
| N4 | C44 | C45 | H45 | 167.8° | 176.2° |
| HN4 | N4 | C44 | C43 | 179.9° | 179.0° |
| HN4 | N4 | C44 | C45 | 0.6° | 1.4° |
| C42 | C37 | C38 | H371 | 120.0° | 120.0° |
| C42 | C37 | C38 | H372 | 117.8° | 120.0° |
| C42 | C37 | H371 | H372 | 118.0° | 119.9° |
| C42 | C37 | C38 | C39 | 92.8° | 180.0° |
| C42 | C37 | C38 | H381 | 147.2° | 60.0° |
| C42 | C37 | C38 | H382 | 25.7° | 60.0° |
| C37 | C42 | C43 | C36 | 0.7° | 0.1° |
| C37 | C42 | C43 | C44 | 179.2° | 179.9° |
| C43 | C42 | C37 | C38 | 148.0° | 90.0° |
| C43 | C42 | C37 | H371 | 28.0° | 30.0° |
| C43 | C42 | C37 | H372 | 94.2° | 150.0° |
| C42 | C43 | C36 | C44 | 179.9° | 180.0° |
| C42 | C43 | C36 | H361 | 138.4° | 90.0° |
| C42 | C43 | C36 | H362 | 18.4° | 150.0° |
| C42 | C43 | C36 | H363 | 101.6° | 30.0° |
| C42 | C43 | C44 | C45 | 179.5° | 178.9° |
| C38 | C37 | H371 | H372 | 118.0° | 120.1° |
| C37 | C38 | C39 | H381 | 120.0° | 120.0° |
| C37 | C38 | C39 | H382 | 118.5° | 120.0° |
| C37 | C38 | H381 | H382 | 118.6° | 120.0° |
| C37 | C38 | C39 | O31 | 136.3° | 0.0° |
| C37 | C38 | C39 | O32 | 44.9° | 180.0° |
| H371 | C37 | C38 | C39 | 27.2° | 60.0° |
| H371 | C37 | C38 | H381 | 92.8° | 180.0° |
| H371 | C37 | C38 | H382 | 145.7° | 60.0° |
| H372 | C37 | C38 | C39 | 149.4° | 60.0° |
| H372 | C37 | C38 | H381 | 29.4° | 60.0° |
| H372 | C37 | C38 | H382 | 92.1° | 180.0° |
| C39 | C38 | H381 | H382 | 118.6° | 120.0° |
| C38 | C39 | O31 | O32 | 178.8° | 180.0° |
| C38 | C39 | O32 | HO32 | 178.7° | 180.0° |
| H381 | C38 | C39 | O31 | 16.3° | 120.0° |
| H381 | C38 | C39 | O32 | 164.9° | 60.0° |
| H382 | C38 | C39 | O31 | 105.2° | 120.0° |
| H382 | C38 | C39 | O32 | 73.6° | 60.0° |
| O31 | C39 | O32 | HO32 | 0.0° | 0.1° |
| C43 | C36 | H361 | H362 | 120.0° | 120.0° |
| C43 | C36 | H361 | H363 | 120.0° | 120.0° |
| C43 | C36 | H362 | H363 | 120.0° | 119.9° |
| C36 | C43 | C44 | C45 | 0.6° | 1.1° |
| C44 | C43 | C36 | H361 | 41.5° | 90.0° |
| C44 | C43 | C36 | H362 | 161.5° | 30.0° |
| C44 | C43 | C36 | H363 | 78.5° | 150.0° |
| C43 | C44 | C45 | H45 | 11.7° | 3.3° |
| H361 | C36 | H362 | H363 | 120.0° | 120.1° |
