23I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C45 | doub | 1.23Å | 1.24Å | |
| C11 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.44Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C20 | S2 | sing | 1.78Å | 1.78Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | C23 | sing | 1.45Å | 1.51Å | |
| C21 | O21 | doub | 1.24Å | 1.25Å | |
| C21 | N21 | sing | 1.40Å | 1.34Å | |
| C22 | O22 | doub | 1.23Å | 1.25Å | |
| C22 | C27 | sing | 1.49Å | 1.49Å | |
| C22 | N3 | sing | 1.39Å | 1.34Å | |
| C24 | C25 | sing | 1.39Å | 1.44Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.43Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C27 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | O32 | doub | 1.23Å | 1.23Å | |
| C30 | C38 | sing | 1.53Å | 1.54Å | |
| C30 | N4 | sing | 1.39Å | 1.34Å | |
| C31 | N3 | sing | 1.45Å | 1.48Å | |
| C31 | C32 | sing | 1.55Å | 1.55Å | |
| C31 | C33 | sing | 1.54Å | 1.54Å | |
| C31 | H31 | sing | 1.10Å | 1.10Å | |
| C32 | C37 | sing | 1.54Å | 1.54Å | |
| C32 | O31 | sing | 1.43Å | 1.41Å | |
| C32 | H32 | sing | 1.10Å | 1.10Å | |
| C33 | C34 | sing | 1.55Å | 1.55Å | |
| C33 | H331 | sing | 1.10Å | 1.10Å | |
| C33 | H332 | sing | 1.10Å | 1.10Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | H34 | sing | 1.10Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.10Å | 1.10Å | |
| C17 | N21 | sing | 1.45Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C18 | H183 | sing | 1.10Å | 1.10Å | |
| N21 | HN21 | sing | 1.01Å | 1.00Å | |
| C23 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | N22 | sing | 1.43Å | 1.49Å | |
| C25 | C26 | doub | 1.40Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| N22 | C29 | sing | 1.49Å | 1.50Å | |
| N22 | S2 | sing | 1.73Å | 1.77Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| S2 | O23 | doub | 1.45Å | 1.57Å | |
| S2 | O24 | doub | 1.45Å | 1.59Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.54Å | 1.54Å | |
| C37 | H371 | sing | 1.10Å | 1.10Å | |
| C37 | H372 | sing | 1.10Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | H38 | sing | 1.10Å | 1.10Å | |
| C39 | H391 | sing | 1.10Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.10Å | 1.10Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| N4 | C41 | sing | 1.45Å | 1.49Å | |
| N4 | HN4 | sing | 1.02Å | 1.00Å | |
| C41 | C45 | sing | 1.53Å | 1.58Å | |
| C41 | C42 | sing | 1.54Å | 1.59Å | |
| C41 | H41 | sing | 1.10Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.55Å | |
| C42 | C44 | sing | 1.53Å | 1.56Å | |
| C42 | H42 | sing | 1.10Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.10Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C45 | N5 | sing | 1.39Å | 1.35Å | |
| N5 | C51 | sing | 1.45Å | 1.48Å | |
| N5 | HN5 | sing | 1.02Å | 1.00Å | |
| C51 | C52 | sing | 1.52Å | 1.53Å | |
| C51 | C53 | sing | 1.52Å | 1.53Å | |
| C51 | H51 | sing | 1.10Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.10Å | 1.10Å | |
| C53 | H533 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.10Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H523 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C45 | C41 | 120.6° | 122.9° |
| O4 | C45 | N5 | 122.3° | 124.9° |
| C16 | C11 | C12 | 120.7° | 119.2° |
| C16 | C11 | H11 | 119.6° | 121.3° |
| C11 | C16 | C15 | 119.0° | 121.6° |
| C11 | C16 | C17 | 118.8° | 119.2° |
| C12 | C11 | H11 | 119.7° | 119.5° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.0° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| C14 | C13 | H13 | 119.8° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | C16 | 120.2° | 119.2° |
| C14 | C15 | H15 | 119.9° | 119.5° |
| C16 | C15 | H15 | 119.9° | 121.3° |
| C15 | C16 | C17 | 122.2° | 119.2° |
| C16 | C17 | N21 | 110.7° | 111.4° |
| C16 | C17 | C18 | 114.5° | 112.5° |
| C16 | C17 | H17 | 104.0° | 109.1° |
| S2 | C20 | H201 | 109.5° | 108.4° |
| S2 | C20 | H202 | 109.5° | 108.4° |
| S2 | C20 | H203 | 109.5° | 108.4° |
| C20 | S2 | N22 | 108.0° | 101.4° |
| C20 | S2 | O23 | 107.1° | 106.8° |
| C20 | S2 | O24 | 110.9° | 107.4° |
| H201 | C20 | H202 | 109.5° | 110.6° |
| H201 | C20 | H203 | 109.4° | 110.6° |
| H202 | C20 | H203 | 109.5° | 110.5° |
| C23 | C21 | O21 | 122.4° | 120.5° |
| C23 | C21 | N21 | 116.5° | 117.0° |
| C21 | C23 | C24 | 121.1° | 120.0° |
| C21 | C23 | C28 | 121.2° | 120.0° |
| O21 | C21 | N21 | 121.0° | 122.5° |
| C21 | N21 | C17 | 125.0° | 123.5° |
| C21 | N21 | HN21 | 117.5° | 119.2° |
| O22 | C22 | C27 | 122.0° | 119.3° |
| O22 | C22 | N3 | 121.2° | 125.0° |
| C27 | C22 | N3 | 116.7° | 115.8° |
| C22 | C27 | C26 | 120.2° | 118.9° |
| C22 | C27 | C28 | 121.3° | 118.9° |
| C22 | N3 | C31 | 125.2° | 122.3° |
| C22 | N3 | HN3 | 117.4° | 120.5° |
| C25 | C24 | C23 | 121.5° | 120.0° |
| C25 | C24 | H24 | 119.2° | 120.0° |
| C24 | C25 | N22 | 121.3° | 120.0° |
| C24 | C25 | C26 | 117.5° | 120.0° |
| C23 | C24 | H24 | 119.2° | 120.0° |
| C24 | C23 | C28 | 117.8° | 120.0° |
| C26 | C27 | C28 | 118.4° | 122.3° |
| C27 | C26 | C25 | 121.8° | 118.9° |
| C27 | C26 | H26 | 119.1° | 121.2° |
| C27 | C28 | C23 | 123.0° | 118.9° |
| C27 | C28 | H28 | 118.5° | 121.2° |
| O32 | C30 | C38 | 120.8° | 122.7° |
| O32 | C30 | N4 | 122.4° | 124.9° |
| C38 | C30 | N4 | 116.7° | 112.3° |
| C30 | C38 | C37 | 112.1° | 112.1° |
| C30 | C38 | C39 | 109.1° | 108.5° |
| C30 | C38 | H38 | 107.8° | 108.7° |
| C30 | N4 | C41 | 123.2° | 123.1° |
| C30 | N4 | HN4 | 118.4° | 119.4° |
| N3 | C31 | C32 | 113.6° | 111.1° |
| N3 | C31 | C33 | 104.9° | 110.9° |
| N3 | C31 | H31 | 111.4° | 105.3° |
| C31 | N3 | HN3 | 117.4° | 117.1° |
| C32 | C31 | C33 | 113.6° | 112.1° |
| C32 | C31 | H31 | 102.3° | 107.3° |
| C31 | C32 | C37 | 112.6° | 115.1° |
| C31 | C32 | O31 | 110.5° | 108.1° |
| C31 | C32 | H32 | 105.9° | 108.2° |
| C33 | C31 | H31 | 111.4° | 109.7° |
| C31 | C33 | C34 | 115.5° | 114.9° |
| C31 | C33 | H331 | 107.5° | 109.3° |
| C31 | C33 | H332 | 106.1° | 109.0° |
| C37 | C32 | O31 | 107.3° | 109.4° |
| C37 | C32 | H32 | 109.2° | 109.7° |
| C32 | C37 | C38 | 116.5° | 113.1° |
| C32 | C37 | H371 | 107.2° | 110.3° |
| C32 | C37 | H372 | 105.5° | 108.8° |
| O31 | C32 | H32 | 111.5° | 106.0° |
| C32 | O31 | HO31 | 109.5° | 106.2° |
| C34 | C33 | H331 | 107.5° | 107.9° |
| C34 | C33 | H332 | 106.1° | 108.9° |
| C33 | C34 | C36 | 111.5° | 112.6° |
| C33 | C34 | C35 | 110.7° | 109.6° |
| C33 | C34 | H34 | 107.1° | 109.2° |
| H331 | C33 | H332 | 114.3° | 106.6° |
| C36 | C34 | C35 | 109.1° | 109.5° |
| C36 | C34 | H34 | 108.8° | 108.3° |
| C34 | C36 | H361 | 109.5° | 111.3° |
| C34 | C36 | H362 | 109.5° | 110.8° |
| C34 | C36 | H363 | 109.5° | 111.4° |
| C35 | C34 | H34 | 109.7° | 107.5° |
| C34 | C35 | H351 | 109.5° | 111.3° |
| C34 | C35 | H352 | 109.5° | 110.8° |
| C34 | C35 | H353 | 109.4° | 110.8° |
| H351 | C35 | H352 | 109.5° | 108.1° |
| H351 | C35 | H353 | 109.5° | 108.1° |
| H352 | C35 | H353 | 109.5° | 107.6° |
| N21 | C17 | C18 | 105.6° | 110.1° |
| N21 | C17 | H17 | 113.1° | 105.5° |
| C17 | N21 | HN21 | 117.5° | 117.1° |
| C18 | C17 | H17 | 109.2° | 107.8° |
| C17 | C18 | H181 | 109.5° | 111.1° |
| C17 | C18 | H182 | 109.5° | 110.5° |
| C17 | C18 | H183 | 109.5° | 112.0° |
| H181 | C18 | H182 | 109.4° | 108.0° |
| H181 | C18 | H183 | 109.5° | 108.0° |
| H182 | C18 | H183 | 109.5° | 107.0° |
| C23 | C28 | H28 | 118.5° | 120.0° |
| N22 | C25 | C26 | 121.2° | 120.0° |
| C25 | N22 | C29 | 119.3° | 117.5° |
| C25 | N22 | S2 | 115.4° | 117.4° |
| C25 | C26 | H26 | 119.1° | 119.9° |
| C29 | N22 | S2 | 109.1° | 117.5° |
| N22 | C29 | H291 | 109.5° | 110.1° |
| N22 | C29 | H292 | 109.5° | 110.2° |
| N22 | C29 | H293 | 109.4° | 110.2° |
| N22 | S2 | O23 | 110.1° | 109.5° |
| N22 | S2 | O24 | 115.2° | 110.0° |
| H291 | C29 | H292 | 109.5° | 108.8° |
| H291 | C29 | H293 | 109.4° | 108.8° |
| H292 | C29 | H293 | 109.5° | 108.8° |
| O23 | S2 | O24 | 105.3° | 120.1° |
| H361 | C36 | H362 | 109.5° | 107.9° |
| H361 | C36 | H363 | 109.5° | 108.2° |
| H362 | C36 | H363 | 109.4° | 107.0° |
| C38 | C37 | H371 | 107.2° | 109.5° |
| C38 | C37 | H372 | 105.6° | 107.8° |
| C37 | C38 | C39 | 109.0° | 110.1° |
| C37 | C38 | H38 | 107.9° | 109.3° |
| H371 | C37 | H372 | 115.2° | 107.1° |
| C39 | C38 | H38 | 111.0° | 108.2° |
| C38 | C39 | H391 | 109.5° | 111.1° |
| C38 | C39 | H392 | 109.5° | 111.0° |
| C38 | C39 | H393 | 109.4° | 111.3° |
| H391 | C39 | H392 | 109.5° | 108.2° |
| H391 | C39 | H393 | 109.5° | 107.4° |
| H392 | C39 | H393 | 109.5° | 107.7° |
| C41 | N4 | HN4 | 118.4° | 117.5° |
| N4 | C41 | C45 | 107.0° | 108.1° |
| N4 | C41 | C42 | 108.9° | 113.0° |
| N4 | C41 | H41 | 113.9° | 106.0° |
| C45 | C41 | C42 | 115.8° | 112.2° |
| C45 | C41 | H41 | 106.7° | 107.6° |
| C41 | C45 | N5 | 117.2° | 112.2° |
| C42 | C41 | H41 | 104.7° | 109.6° |
| C41 | C42 | C43 | 112.2° | 113.1° |
| C41 | C42 | C44 | 115.4° | 111.1° |
| C41 | C42 | H42 | 102.2° | 108.3° |
| C43 | C42 | C44 | 106.0° | 109.9° |
| C43 | C42 | H42 | 112.3° | 107.1° |
| C42 | C43 | H431 | 109.5° | 111.3° |
| C42 | C43 | H432 | 109.5° | 111.7° |
| C42 | C43 | H433 | 109.5° | 110.4° |
| C44 | C42 | H42 | 108.8° | 107.1° |
| C42 | C44 | H441 | 109.5° | 110.8° |
| C42 | C44 | H442 | 109.5° | 110.6° |
| C42 | C44 | H443 | 109.5° | 111.6° |
| H431 | C43 | H432 | 109.5° | 108.3° |
| H431 | C43 | H433 | 109.5° | 107.4° |
| H432 | C43 | H433 | 109.5° | 107.6° |
| H441 | C44 | H442 | 109.4° | 107.6° |
| H441 | C44 | H443 | 109.5° | 108.2° |
| H442 | C44 | H443 | 109.5° | 107.8° |
| C45 | N5 | C51 | 123.6° | 123.0° |
| C45 | N5 | HN5 | 118.2° | 119.4° |
| C51 | N5 | HN5 | 118.2° | 117.6° |
| N5 | C51 | C52 | 108.6° | 108.9° |
| N5 | C51 | C53 | 106.9° | 109.1° |
| N5 | C51 | H51 | 112.2° | 108.0° |
| C52 | C51 | C53 | 111.1° | 111.7° |
| C52 | C51 | H51 | 108.1° | 109.5° |
| C51 | C52 | H521 | 109.5° | 110.7° |
| C51 | C52 | H522 | 109.5° | 110.9° |
| C51 | C52 | H523 | 109.4° | 111.5° |
| C53 | C51 | H51 | 109.8° | 109.6° |
| C51 | C53 | H531 | 109.5° | 110.8° |
| C51 | C53 | H532 | 109.5° | 111.4° |
| C51 | C53 | H533 | 109.5° | 110.8° |
| H531 | C53 | H532 | 109.4° | 108.1° |
| H531 | C53 | H533 | 109.5° | 108.1° |
| H532 | C53 | H533 | 109.5° | 107.5° |
| H521 | C52 | H522 | 109.5° | 108.0° |
| H521 | C52 | H523 | 109.5° | 107.5° |
| H522 | C52 | H523 | 109.5° | 108.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C45 | C41 | N4 | 32.9° | 6.0° |
| O4 | C45 | C41 | N5 | 179.4° | 178.2° |
| O4 | C45 | C41 | C42 | 88.7° | 119.3° |
| O4 | C45 | C41 | H41 | 155.2° | 120.1° |
| O4 | C45 | N5 | C51 | 0.3° | 0.0° |
| O4 | C45 | N5 | HN5 | 179.7° | 178.3° |
| C16 | C11 | C12 | H11 | 180.0° | 180.0° |
| C16 | C11 | C12 | C13 | 0.1° | 0.0° |
| C16 | C11 | C12 | H12 | 179.9° | 180.0° |
| C11 | C16 | C15 | C14 | 0.2° | 0.0° |
| C11 | C16 | C15 | C17 | 179.5° | 180.0° |
| C11 | C16 | C15 | H15 | 179.8° | 180.0° |
| C11 | C16 | C17 | N21 | 117.6° | 34.3° |
| C11 | C16 | C17 | C18 | 123.2° | 90.0° |
| C11 | C16 | C17 | H17 | 4.1° | 150.4° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | H13 | 179.6° | 180.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.0° |
| C12 | C11 | C16 | C17 | 179.7° | 180.0° |
| H11 | C11 | C12 | C13 | 179.9° | 179.9° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| H11 | C11 | C16 | C15 | 179.8° | 179.9° |
| H11 | C11 | C16 | C17 | 0.3° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H14 | 179.7° | 180.0° |
| H12 | C12 | C13 | C14 | 179.6° | 180.0° |
| H12 | C12 | C13 | H13 | 0.4° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| H13 | C13 | C14 | C15 | 179.7° | 180.0° |
| H13 | C13 | C14 | H14 | 0.3° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.8° | 180.0° |
| H14 | C14 | C15 | C16 | 180.0° | 180.0° |
| H14 | C14 | C15 | H15 | 0.0° | 0.0° |
| C15 | C16 | C17 | N21 | 61.9° | 145.7° |
| C15 | C16 | C17 | C18 | 57.3° | 90.0° |
| C15 | C16 | C17 | H17 | 176.4° | 29.6° |
| H15 | C15 | C16 | C17 | 0.2° | 0.0° |
| C16 | C17 | N21 | C21 | 101.8° | 148.3° |
| C16 | C17 | N21 | C18 | 124.4° | 125.6° |
| C16 | C17 | N21 | H17 | 116.2° | 118.3° |
| C16 | C17 | C18 | H17 | 116.1° | 120.4° |
| C16 | C17 | C18 | H181 | 26.8° | 116.4° |
| C16 | C17 | C18 | H182 | 146.8° | 123.7° |
| C16 | C17 | C18 | H183 | 93.2° | 4.5° |
| C16 | C17 | N21 | HN21 | 78.2° | 27.6° |
| S2 | C20 | H201 | H202 | 120.0° | 118.7° |
| S2 | C20 | H201 | H203 | 120.0° | 118.6° |
| S2 | C20 | H202 | H203 | 120.0° | 118.6° |
| C20 | S2 | N22 | C25 | 101.9° | 90.1° |
| C20 | S2 | N22 | C29 | 120.5° | 58.8° |
| C20 | S2 | N22 | O23 | 116.6° | 112.6° |
| C20 | S2 | N22 | O24 | 124.6° | 113.4° |
| C20 | S2 | O23 | O24 | 118.1° | 122.4° |
| H201 | C20 | H202 | H203 | 120.0° | 122.7° |
| H201 | C20 | S2 | N22 | 128.2° | 103.4° |
| H201 | C20 | S2 | O23 | 113.3° | 11.1° |
| H201 | C20 | S2 | O24 | 1.0° | 141.2° |
| H202 | C20 | S2 | N22 | 8.1° | 16.6° |
| H202 | C20 | S2 | O23 | 126.7° | 131.2° |
| H202 | C20 | S2 | O24 | 119.0° | 98.7° |
| H203 | C20 | S2 | N22 | 111.9° | 136.6° |
| H203 | C20 | S2 | O23 | 6.6° | 108.9° |
| H203 | C20 | S2 | O24 | 121.0° | 21.2° |
| C23 | C21 | O21 | N21 | 179.4° | 178.8° |
| C21 | C23 | C24 | C25 | 179.4° | 180.0° |
| C21 | C23 | C24 | C28 | 179.1° | 179.9° |
| C21 | C23 | C24 | H24 | 0.7° | 0.0° |
| C21 | C23 | C28 | C27 | 179.3° | 179.9° |
| C23 | C21 | N21 | C17 | 179.6° | 178.9° |
| C23 | C21 | N21 | HN21 | 0.4° | 3.0° |
| C21 | C23 | C28 | H28 | 0.8° | 0.0° |
| O21 | C21 | C23 | C24 | 31.9° | 25.8° |
| O21 | C21 | N21 | C17 | 0.9° | 0.0° |
| O21 | C21 | N21 | HN21 | 179.1° | 175.8° |
| O21 | C21 | C23 | C28 | 147.1° | 154.1° |
| N21 | C21 | C23 | C24 | 148.6° | 153.0° |
| C21 | N21 | C17 | HN21 | 180.0° | 176.0° |
| C21 | N21 | C17 | C18 | 133.8° | 86.0° |
| C21 | N21 | C17 | H17 | 14.4° | 30.0° |
| N21 | C21 | C23 | C28 | 32.4° | 27.0° |
| O22 | C22 | C27 | N3 | 177.8° | 178.9° |
| O22 | C22 | C27 | C26 | 30.0° | 25.9° |
| O22 | C22 | C27 | C28 | 148.2° | 154.0° |
| O22 | C22 | N3 | C31 | 0.2° | 0.0° |
| O22 | C22 | N3 | HN3 | 179.8° | 175.8° |
| C22 | C27 | C26 | C28 | 178.2° | 179.9° |
| C27 | C22 | N3 | C31 | 177.6° | 178.8° |
| C22 | C27 | C28 | C23 | 178.2° | 179.9° |
| C22 | C27 | C26 | C25 | 178.1° | 179.9° |
| C22 | C27 | C26 | H26 | 1.9° | 0.1° |
| C22 | C27 | C28 | H28 | 1.9° | 0.2° |
| C27 | C22 | N3 | HN3 | 2.4° | 3.0° |
| N3 | C22 | C27 | C26 | 152.3° | 153.0° |
| N3 | C22 | C27 | C28 | 29.6° | 27.1° |
| C22 | N3 | C31 | HN3 | 180.0° | 176.0° |
| C22 | N3 | C31 | C32 | 98.3° | 115.9° |
| C22 | N3 | C31 | C33 | 137.2° | 118.6° |
| C22 | N3 | C31 | H31 | 16.6° | 0.0° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C25 | C24 | C23 | C28 | 0.3° | 0.1° |
| C24 | C25 | N22 | C26 | 177.9° | 180.0° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C24 | C25 | N22 | C29 | 171.0° | 120.0° |
| C24 | C25 | N22 | S2 | 38.0° | 91.2° |
| C24 | C23 | C28 | C27 | 0.2° | 0.0° |
| C23 | C24 | C25 | N22 | 178.2° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C24 | C23 | C28 | H28 | 179.8° | 179.9° |
| H24 | C24 | C23 | C28 | 179.7° | 179.9° |
| H24 | C24 | C25 | N22 | 1.8° | 0.0° |
| H24 | C24 | C25 | C26 | 179.8° | 179.9° |
| C26 | C27 | C28 | C23 | 0.0° | 0.0° |
| C27 | C26 | C25 | N22 | 178.0° | 180.0° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C27 | C28 | C23 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C28 | C27 | C26 | H26 | 180.0° | 179.9° |
| O32 | C30 | C38 | N4 | 178.9° | 178.7° |
| O32 | C30 | C38 | C37 | 44.5° | 29.1° |
| O32 | C30 | C38 | C39 | 76.2° | 92.6° |
| O32 | C30 | C38 | H38 | 163.2° | 150.0° |
| O32 | C30 | N4 | C41 | 0.4° | 0.0° |
| O32 | C30 | N4 | HN4 | 179.6° | 178.6° |
| C30 | C38 | C37 | C32 | 75.1° | 176.7° |
| C30 | C38 | C37 | C39 | 120.9° | 120.8° |
| C30 | C38 | C37 | H38 | 118.5° | 120.6° |
| C30 | C38 | C37 | H371 | 164.9° | 59.9° |
| C30 | C38 | C37 | H372 | 41.7° | 56.3° |
| C30 | C38 | C39 | H38 | 118.6° | 117.7° |
| C30 | C38 | C39 | H391 | 52.7° | 1.4° |
| C30 | C38 | C39 | H392 | 67.3° | 119.0° |
| C30 | C38 | C39 | H393 | 172.7° | 121.1° |
| C38 | C30 | N4 | C41 | 178.4° | 178.7° |
| C38 | C30 | N4 | HN4 | 1.6° | 0.0° |
| N4 | C30 | C38 | C37 | 136.6° | 149.6° |
| N4 | C30 | C38 | C39 | 102.7° | 88.7° |
| N4 | C30 | C38 | H38 | 18.0° | 28.7° |
| C30 | N4 | C41 | HN4 | 180.0° | 178.7° |
| C30 | N4 | C41 | C45 | 65.9° | 115.1° |
| C30 | N4 | C41 | C42 | 168.2° | 120.1° |
| C30 | N4 | C41 | H41 | 51.8° | 0.1° |
| N3 | C31 | C32 | C33 | 119.7° | 124.8° |
| N3 | C31 | C32 | H31 | 120.2° | 114.6° |
| N3 | C31 | C33 | H31 | 120.6° | 115.9° |
| N3 | C31 | C32 | C37 | 60.1° | 54.6° |
| N3 | C31 | C32 | O31 | 59.8° | 67.9° |
| N3 | C31 | C32 | H32 | 179.4° | 177.6° |
| N3 | C31 | C33 | C34 | 34.6° | 55.9° |
| N3 | C31 | C33 | H331 | 85.4° | 65.5° |
| N3 | C31 | C33 | H332 | 151.8° | 178.3° |
| C32 | C31 | C33 | H31 | 114.8° | 119.2° |
| C31 | C32 | C37 | O31 | 121.7° | 121.9° |
| C31 | C32 | C37 | H32 | 117.3° | 122.2° |
| C31 | C32 | O31 | H32 | 117.4° | 115.8° |
| C32 | C31 | C33 | C34 | 159.1° | 179.2° |
| C32 | C31 | C33 | H331 | 39.1° | 59.4° |
| C32 | C31 | C33 | H332 | 83.6° | 56.7° |
| C32 | C31 | N3 | HN3 | 81.7° | 68.2° |
| C31 | C32 | C37 | C38 | 134.4° | 62.2° |
| C31 | C32 | C37 | H371 | 105.6° | 174.8° |
| C31 | C32 | C37 | H372 | 17.7° | 57.6° |
| C31 | C32 | O31 | HO31 | 129.3° | 125.6° |
| C33 | C31 | C32 | C37 | 179.8° | 179.4° |
| C33 | C31 | C32 | O31 | 59.9° | 56.9° |
| C33 | C31 | C32 | H32 | 60.9° | 57.5° |
| C31 | C33 | C34 | H331 | 120.0° | 122.1° |
| C31 | C33 | C34 | H332 | 117.3° | 122.5° |
| C31 | C33 | H331 | H332 | 117.5° | 117.7° |
| C31 | C33 | C34 | C36 | 97.9° | 64.3° |
| C31 | C33 | C34 | C35 | 140.5° | 57.8° |
| C31 | C33 | C34 | H34 | 21.0° | 175.4° |
| C33 | C31 | N3 | HN3 | 42.9° | 57.3° |
| H31 | C31 | C32 | C37 | 60.0° | 60.0° |
| H31 | C31 | C32 | O31 | 179.9° | 177.4° |
| H31 | C31 | C32 | H32 | 59.3° | 63.0° |
| H31 | C31 | C33 | C34 | 86.0° | 60.0° |
| H31 | C31 | C33 | H331 | 154.0° | 178.6° |
| H31 | C31 | C33 | H332 | 31.2° | 62.4° |
| H31 | C31 | N3 | HN3 | 163.5° | 176.0° |
| C37 | C32 | O31 | H32 | 119.5° | 118.2° |
| C32 | C37 | C38 | H371 | 120.0° | 123.4° |
| C32 | C37 | C38 | H372 | 116.7° | 120.4° |
| C32 | C37 | H371 | H372 | 117.1° | 118.3° |
| C32 | C37 | C38 | C39 | 164.1° | 62.6° |
| C32 | C37 | C38 | H38 | 43.5° | 56.1° |
| C37 | C32 | O31 | HO31 | 107.6° | 0.4° |
| O31 | C32 | C37 | C38 | 103.8° | 175.9° |
| O31 | C32 | C37 | H371 | 16.2° | 53.0° |
| O31 | C32 | C37 | H372 | 139.4° | 64.3° |
| H32 | C32 | C37 | C38 | 17.1° | 60.0° |
| H32 | C32 | C37 | H371 | 137.1° | 62.9° |
| H32 | C32 | C37 | H372 | 99.7° | 179.8° |
| H32 | C32 | O31 | HO31 | 11.8° | 118.6° |
| C34 | C33 | H331 | H332 | 117.5° | 116.8° |
| C33 | C34 | C36 | C35 | 122.6° | 122.2° |
| C33 | C34 | C36 | H34 | 117.9° | 120.9° |
| C33 | C34 | C35 | H34 | 117.9° | 118.6° |
| C33 | C34 | C35 | H351 | 39.3° | 61.9° |
| C33 | C34 | C35 | H352 | 159.3° | 177.8° |
| C33 | C34 | C35 | H353 | 80.7° | 58.4° |
| C33 | C34 | C36 | H361 | 90.3° | 54.8° |
| C33 | C34 | C36 | H362 | 29.7° | 175.0° |
| C33 | C34 | C36 | H363 | 149.6° | 66.0° |
| H331 | C33 | C34 | C36 | 142.1° | 57.8° |
| H331 | C33 | C34 | C35 | 20.5° | 180.0° |
| H331 | C33 | C34 | H34 | 99.0° | 62.5° |
| H332 | C33 | C34 | C36 | 19.4° | 173.2° |
| H332 | C33 | C34 | C35 | 102.2° | 64.7° |
| H332 | C33 | C34 | H34 | 138.3° | 52.9° |
| C36 | C34 | C35 | H34 | 119.0° | 117.5° |
| C36 | C34 | C35 | H351 | 83.7° | 62.0° |
| C36 | C34 | C35 | H352 | 36.3° | 58.3° |
| C36 | C34 | C35 | H353 | 156.2° | 177.7° |
| C34 | C36 | H361 | H362 | 120.0° | 121.8° |
| C34 | C36 | H361 | H363 | 120.0° | 122.8° |
| C34 | C36 | H362 | H363 | 120.0° | 121.6° |
| C34 | C35 | H351 | H352 | 120.0° | 121.9° |
| C34 | C35 | H351 | H353 | 120.0° | 121.9° |
| C34 | C35 | H352 | H353 | 120.0° | 121.3° |
| C35 | C34 | C36 | H361 | 32.2° | 67.3° |
| C35 | C34 | C36 | H362 | 152.2° | 52.8° |
| C35 | C34 | C36 | H363 | 87.8° | 171.8° |
| H34 | C34 | C35 | H351 | 157.2° | 179.5° |
| H34 | C34 | C35 | H352 | 82.8° | 59.2° |
| H34 | C34 | C35 | H353 | 37.2° | 60.2° |
| H34 | C34 | C36 | H361 | 151.8° | 175.7° |
| H34 | C34 | C36 | H362 | 88.2° | 64.2° |
| H34 | C34 | C36 | H363 | 31.8° | 54.8° |
| H351 | C35 | H352 | H353 | 120.0° | 116.5° |
| N21 | C17 | C18 | H17 | 121.9° | 114.6° |
| N21 | C17 | C18 | H181 | 95.2° | 8.6° |
| N21 | C17 | C18 | H182 | 24.7° | 111.3° |
| N21 | C17 | C18 | H183 | 144.8° | 129.5° |
| C17 | C18 | H181 | H182 | 120.0° | 121.3° |
| C17 | C18 | H181 | H183 | 120.0° | 123.2° |
| C17 | C18 | H182 | H183 | 120.0° | 122.2° |
| C18 | C17 | N21 | HN21 | 46.2° | 98.0° |
| H17 | C17 | C18 | H181 | 142.9° | 123.2° |
| H17 | C17 | C18 | H182 | 97.2° | 3.3° |
| H17 | C17 | C18 | H183 | 22.9° | 115.9° |
| H17 | C17 | N21 | HN21 | 165.6° | 145.9° |
| H181 | C18 | H182 | H183 | 120.0° | 116.1° |
| N22 | C25 | C26 | H26 | 2.0° | 0.0° |
| C25 | N22 | C29 | S2 | 135.6° | 148.8° |
| C25 | N22 | C29 | H291 | 156.8° | 101.8° |
| C25 | N22 | C29 | H292 | 36.8° | 18.2° |
| C25 | N22 | C29 | H293 | 83.3° | 138.3° |
| C25 | N22 | S2 | O23 | 141.5° | 157.4° |
| C25 | N22 | S2 | O24 | 22.7° | 23.4° |
| C26 | C25 | N22 | C29 | 11.1° | 60.0° |
| C26 | C25 | N22 | S2 | 144.1° | 88.8° |
| N22 | C29 | H291 | H292 | 120.0° | 120.9° |
| N22 | C29 | H291 | H293 | 120.0° | 120.8° |
| N22 | C29 | H292 | H293 | 120.0° | 120.9° |
| C29 | N22 | S2 | O23 | 4.0° | 53.8° |
| C29 | N22 | S2 | O24 | 114.8° | 172.2° |
| S2 | N22 | C29 | H291 | 67.6° | 47.0° |
| S2 | N22 | C29 | H292 | 172.4° | 167.0° |
| S2 | N22 | C29 | H293 | 52.4° | 72.9° |
| N22 | S2 | O23 | O24 | 124.7° | 128.6° |
| H291 | C29 | H292 | H293 | 120.0° | 118.3° |
| H361 | C36 | H362 | H363 | 120.0° | 116.2° |
| C38 | C37 | H371 | H372 | 117.1° | 116.6° |
| C37 | C38 | C39 | H38 | 118.7° | 119.3° |
| C37 | C38 | C39 | H391 | 70.0° | 121.5° |
| C37 | C38 | C39 | H392 | 170.0° | 118.0° |
| C37 | C38 | C39 | H393 | 50.0° | 1.9° |
| H371 | C37 | C38 | C39 | 44.1° | 60.9° |
| H371 | C37 | C38 | H38 | 76.6° | 179.5° |
| H372 | C37 | C38 | C39 | 79.2° | 177.1° |
| H372 | C37 | C38 | H38 | 160.2° | 64.3° |
| C38 | C39 | H391 | H392 | 120.0° | 122.1° |
| C38 | C39 | H391 | H393 | 120.0° | 121.9° |
| C38 | C39 | H392 | H393 | 120.0° | 122.0° |
| H38 | C38 | C39 | H391 | 171.3° | 119.2° |
| H38 | C38 | C39 | H392 | 51.3° | 1.3° |
| H38 | C38 | C39 | H393 | 68.7° | 121.2° |
| H391 | C39 | H392 | H393 | 120.0° | 115.8° |
| N4 | C41 | C45 | C42 | 121.6° | 125.3° |
| N4 | C41 | C45 | H41 | 122.3° | 114.0° |
| N4 | C41 | C42 | H41 | 122.2° | 118.0° |
| N4 | C41 | C42 | C43 | 167.0° | 58.9° |
| N4 | C41 | C42 | C44 | 71.4° | 65.2° |
| N4 | C41 | C42 | H42 | 46.6° | 177.5° |
| N4 | C41 | C45 | N5 | 146.5° | 172.2° |
| HN4 | N4 | C41 | C45 | 114.1° | 66.3° |
| HN4 | N4 | C41 | C42 | 11.7° | 58.5° |
| HN4 | N4 | C41 | H41 | 128.2° | 178.6° |
| C45 | C41 | C42 | H41 | 117.2° | 119.5° |
| C45 | C41 | C42 | C43 | 72.4° | 178.6° |
| C45 | C41 | C42 | C44 | 49.2° | 57.3° |
| C45 | C41 | C42 | H42 | 167.1° | 60.0° |
| C41 | C45 | N5 | C51 | 179.7° | 178.1° |
| C41 | C45 | N5 | HN5 | 0.3° | 0.1° |
| C41 | C42 | C43 | C44 | 126.8° | 124.7° |
| C41 | C42 | C43 | H42 | 114.4° | 119.3° |
| C41 | C42 | C44 | H42 | 114.2° | 118.1° |
| C41 | C42 | C43 | H431 | 13.7° | 58.2° |
| C41 | C42 | C43 | H432 | 106.3° | 62.9° |
| C41 | C42 | C43 | H433 | 133.7° | 177.3° |
| C41 | C42 | C44 | H441 | 32.6° | 55.9° |
| C41 | C42 | C44 | H442 | 152.6° | 175.2° |
| C41 | C42 | C44 | H443 | 87.4° | 64.8° |
| C42 | C41 | C45 | N5 | 91.9° | 62.5° |
| H41 | C41 | C42 | C43 | 44.8° | 59.1° |
| H41 | C41 | C42 | C44 | 166.4° | 176.8° |
| H41 | C41 | C42 | H42 | 75.6° | 59.5° |
| H41 | C41 | C45 | N5 | 24.2° | 58.2° |
| C43 | C42 | C44 | H42 | 121.0° | 116.0° |
| C42 | C43 | H431 | H432 | 120.0° | 123.1° |
| C42 | C43 | H431 | H433 | 120.0° | 120.9° |
| C42 | C43 | H432 | H433 | 120.0° | 121.4° |
| C43 | C42 | C44 | H441 | 92.3° | 178.2° |
| C43 | C42 | C44 | H442 | 27.7° | 58.9° |
| C43 | C42 | C44 | H443 | 147.7° | 61.0° |
| C44 | C42 | C43 | H431 | 113.2° | 177.1° |
| C44 | C42 | C43 | H432 | 126.8° | 61.8° |
| C44 | C42 | C43 | H433 | 6.8° | 58.0° |
| C42 | C44 | H441 | H442 | 120.0° | 121.0° |
| C42 | C44 | H441 | H443 | 120.0° | 122.7° |
| C42 | C44 | H442 | H443 | 120.0° | 122.3° |
| H42 | C42 | C43 | H431 | 128.1° | 61.1° |
| H42 | C42 | C43 | H432 | 8.1° | 177.8° |
| H42 | C42 | C43 | H433 | 111.9° | 58.0° |
| H42 | C42 | C44 | H441 | 146.7° | 62.2° |
| H42 | C42 | C44 | H442 | 93.3° | 57.1° |
| H42 | C42 | C44 | H443 | 26.7° | 177.1° |
| H431 | C43 | H432 | H433 | 120.0° | 115.8° |
| H441 | C44 | H442 | H443 | 120.0° | 116.5° |
| C45 | N5 | C51 | HN5 | 180.0° | 178.3° |
| C45 | N5 | C51 | C52 | 88.0° | 88.8° |
| C45 | N5 | C51 | C53 | 152.0° | 149.1° |
| C45 | N5 | C51 | H51 | 31.5° | 30.1° |
| N5 | C51 | C52 | C53 | 117.3° | 120.6° |
| N5 | C51 | C52 | H51 | 122.1° | 117.9° |
| N5 | C51 | C53 | H51 | 122.0° | 118.0° |
| N5 | C51 | C53 | H531 | 132.6° | 179.1° |
| N5 | C51 | C53 | H532 | 12.6° | 60.5° |
| N5 | C51 | C53 | H533 | 107.4° | 59.1° |
| N5 | C51 | C52 | H521 | 24.0° | 58.9° |
| N5 | C51 | C52 | H522 | 96.0° | 178.8° |
| N5 | C51 | C52 | H523 | 144.0° | 60.6° |
| HN5 | N5 | C51 | C52 | 92.0° | 89.6° |
| HN5 | N5 | C51 | C53 | 28.0° | 32.6° |
| HN5 | N5 | C51 | H51 | 148.5° | 151.6° |
| C52 | C51 | C53 | H51 | 119.6° | 121.5° |
| C52 | C51 | C53 | H531 | 14.2° | 60.5° |
| C52 | C51 | C53 | H532 | 105.8° | 60.0° |
| C52 | C51 | C53 | H533 | 134.2° | 179.6° |
| C51 | C52 | H521 | H522 | 120.0° | 121.6° |
| C51 | C52 | H521 | H523 | 120.0° | 122.0° |
| C51 | C52 | H522 | H523 | 120.0° | 122.5° |
| C51 | C53 | H531 | H532 | 120.0° | 122.4° |
| C51 | C53 | H531 | H533 | 120.0° | 121.6° |
| C51 | C53 | H532 | H533 | 120.0° | 121.5° |
| C53 | C51 | C52 | H521 | 141.4° | 179.5° |
| C53 | C51 | C52 | H522 | 21.3° | 60.6° |
| C53 | C51 | C52 | H523 | 98.7° | 60.0° |
| H51 | C51 | C53 | H531 | 105.4° | 61.1° |
| H51 | C51 | C53 | H532 | 134.6° | 178.5° |
| H51 | C51 | C53 | H533 | 14.6° | 58.9° |
| H51 | C51 | C52 | H521 | 98.0° | 58.9° |
| H51 | C51 | C52 | H522 | 141.9° | 61.0° |
| H51 | C51 | C52 | H523 | 21.9° | 178.5° |
| H531 | C53 | H532 | H533 | 120.0° | 116.4° |
| H521 | C52 | H522 | H523 | 120.0° | 116.0° |
