PFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C30 | doub | 1.22Å | 1.22Å | |
| C30 | N38 | sing | 1.35Å | 1.38Å | |
| C30 | C23 | sing | 1.47Å | 1.49Å | |
| N38 | C39 | sing | 1.47Å | 1.47Å | |
| N38 | C42 | sing | 1.48Å | 1.47Å | |
| C39 | C43 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.54Å | 1.53Å | |
| C43 | N33 | sing | 1.47Å | 1.49Å | |
| N33 | C34 | sing | 1.48Å | 1.47Å | |
| N33 | C37 | sing | 1.48Å | 1.48Å | |
| C34 | C35 | sing | 1.54Å | 1.54Å | |
| C35 | C36 | sing | 1.55Å | 1.54Å | |
| C36 | C37 | sing | 1.55Å | 1.53Å | |
| C40 | C41 | sing | 1.55Å | 1.53Å | |
| C41 | C42 | sing | 1.55Å | 1.52Å | |
| C23 | C24 | sing | 1.41Å | 1.44Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C29 | sing | 1.51Å | 1.53Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C28 | sing | 1.51Å | 1.51Å | |
| C22 | N26 | sing | 1.34Å | 1.36Å | Aromatic |
| N26 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C | sing | 1.41Å | 1.49Å | |
| C | C21 | doub | 1.38Å | 1.43Å | |
| C21 | C20 | sing | 1.47Å | 1.49Å | |
| C21 | C17 | sing | 1.48Å | 1.49Å | |
| C20 | O32 | doub | 1.22Å | 1.24Å | |
| C20 | N19 | sing | 1.34Å | 1.38Å | |
| N19 | C18 | sing | 1.39Å | 1.39Å | |
| C18 | C9 | doub | 1.39Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.43Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.44Å | Aromatic |
| C17 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C7 | sing | 1.38Å | 1.45Å | Aromatic |
| C7 | S11 | sing | 1.76Å | 1.78Å | |
| S11 | O12 | doub | 1.42Å | 1.45Å | |
| S11 | O13 | doub | 1.42Å | 1.45Å | |
| S11 | C14 | sing | 1.81Å | 1.83Å | |
| C14 | C1 | sing | 1.51Å | 1.55Å | |
| C1 | C6 | sing | 1.38Å | 1.45Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.45Å | Aromatic |
| C6 | CL6 | sing | 1.74Å | 1.73Å | |
| C6 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C2 | CL5 | sing | 1.74Å | 1.73Å | |
| C2 | C3 | sing | 1.38Å | 1.44Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C30 | N38 | 119.6° | 120.0° |
| O31 | C30 | C23 | 115.6° | 120.0° |
| N38 | C30 | C23 | 124.9° | 120.0° |
| C30 | N38 | C39 | 125.8° | 125.7° |
| C30 | N38 | C42 | 126.2° | 125.6° |
| C30 | C23 | C24 | 128.4° | 126.4° |
| C30 | C23 | C22 | 125.2° | 126.4° |
| C39 | N38 | C42 | 107.9° | 108.7° |
| N38 | C39 | C43 | 117.9° | 109.9° |
| N38 | C39 | C40 | 106.5° | 107.3° |
| N38 | C39 | H39 | 106.9° | 109.8° |
| N38 | C42 | C41 | 105.2° | 104.9° |
| N38 | C42 | H421 | 110.9° | 110.3° |
| N38 | C42 | H422 | 111.8° | 110.3° |
| C43 | C39 | C40 | 112.3° | 109.9° |
| C39 | C43 | N33 | 111.2° | 109.5° |
| C43 | C39 | H39 | 100.2° | 109.8° |
| C39 | C43 | H431 | 108.9° | 109.5° |
| C39 | C43 | H432 | 108.5° | 109.5° |
| C39 | C40 | C41 | 103.6° | 102.9° |
| C40 | C39 | H39 | 113.1° | 110.0° |
| C39 | C40 | H401 | 111.4° | 110.7° |
| C39 | C40 | H402 | 112.7° | 110.7° |
| C43 | N33 | C34 | 114.2° | 111.0° |
| C43 | N33 | C37 | 116.8° | 111.0° |
| N33 | C43 | H431 | 108.9° | 109.4° |
| N33 | C43 | H432 | 108.5° | 109.5° |
| C34 | N33 | C37 | 101.6° | 105.8° |
| N33 | C34 | C35 | 106.0° | 107.0° |
| N33 | C34 | H341 | 110.7° | 109.9° |
| N33 | C34 | H342 | 111.4° | 109.9° |
| N33 | C37 | C36 | 106.1° | 103.3° |
| N33 | C37 | H371 | 110.7° | 110.7° |
| N33 | C37 | H372 | 111.4° | 110.6° |
| C34 | C35 | C36 | 104.0° | 105.1° |
| C35 | C34 | H341 | 110.6° | 109.9° |
| C35 | C34 | H342 | 111.4° | 109.9° |
| C34 | C35 | H351 | 111.3° | 110.3° |
| C34 | C35 | H352 | 112.5° | 110.3° |
| C35 | C36 | C37 | 104.0° | 102.9° |
| C36 | C35 | H351 | 111.3° | 110.3° |
| C36 | C35 | H352 | 112.5° | 110.3° |
| C35 | C36 | H361 | 111.3° | 110.7° |
| C35 | C36 | H362 | 112.5° | 110.7° |
| C36 | C37 | H371 | 110.6° | 110.7° |
| C36 | C37 | H372 | 111.4° | 110.7° |
| C37 | C36 | H361 | 111.3° | 110.7° |
| C37 | C36 | H362 | 112.5° | 110.7° |
| C40 | C41 | C42 | 101.4° | 101.7° |
| C41 | C40 | H401 | 111.5° | 110.7° |
| C41 | C40 | H402 | 112.7° | 110.7° |
| C40 | C41 | H411 | 112.2° | 111.0° |
| C40 | C41 | H412 | 114.0° | 111.0° |
| C41 | C42 | H421 | 110.9° | 110.4° |
| C41 | C42 | H422 | 111.8° | 110.2° |
| C42 | C41 | H411 | 112.3° | 111.1° |
| C42 | C41 | H412 | 114.0° | 110.8° |
| C24 | C23 | C22 | 106.4° | 107.2° |
| C23 | C24 | C29 | 127.3° | 126.6° |
| C23 | C24 | C25 | 106.3° | 106.8° |
| C23 | C22 | C28 | 127.0° | 125.7° |
| C23 | C22 | N26 | 109.4° | 108.7° |
| C29 | C24 | C25 | 126.4° | 126.6° |
| C24 | C29 | H291 | 109.5° | 109.5° |
| C24 | C29 | H292 | 109.5° | 109.5° |
| C24 | C29 | H293 | 109.4° | 109.5° |
| C24 | C25 | N26 | 108.7° | 108.0° |
| C24 | C25 | C | 125.6° | 126.0° |
| C28 | C22 | N26 | 123.7° | 125.6° |
| C22 | C28 | H281 | 109.5° | 109.5° |
| C22 | C28 | H282 | 109.5° | 109.5° |
| C22 | C28 | H283 | 109.4° | 109.4° |
| C22 | N26 | C25 | 109.2° | 109.3° |
| C22 | N26 | H26 | 125.4° | 125.4° |
| N26 | C25 | C | 125.7° | 126.0° |
| C25 | N26 | H26 | 125.4° | 125.4° |
| C25 | C | C21 | 127.5° | 120.0° |
| C25 | C | H | 116.2° | 120.0° |
| C | C21 | C20 | 131.0° | 127.4° |
| C | C21 | C17 | 125.6° | 127.5° |
| C21 | C | H | 116.3° | 120.0° |
| C20 | C21 | C17 | 103.5° | 105.1° |
| C21 | C20 | O32 | 127.0° | 126.0° |
| C21 | C20 | N19 | 108.5° | 108.0° |
| C21 | C17 | C18 | 108.3° | 106.4° |
| C21 | C17 | C10 | 130.9° | 133.3° |
| O32 | C20 | N19 | 124.5° | 126.0° |
| C20 | N19 | C18 | 110.6° | 111.4° |
| C20 | N19 | H19 | 124.7° | 124.3° |
| N19 | C18 | C9 | 129.6° | 131.8° |
| N19 | C18 | C17 | 109.2° | 109.1° |
| C18 | N19 | H19 | 124.7° | 124.3° |
| C9 | C18 | C17 | 121.2° | 119.1° |
| C18 | C9 | C8 | 118.3° | 120.1° |
| C18 | C9 | H9 | 120.8° | 119.9° |
| C18 | C17 | C10 | 120.9° | 120.4° |
| C9 | C8 | C7 | 121.4° | 120.7° |
| C8 | C9 | H9 | 120.8° | 120.0° |
| C9 | C8 | H8 | 119.3° | 119.6° |
| C8 | C7 | C10 | 118.6° | 120.1° |
| C8 | C7 | S11 | 120.3° | 119.9° |
| C7 | C8 | H8 | 119.3° | 119.7° |
| C17 | C10 | C7 | 119.6° | 119.7° |
| C17 | C10 | H10 | 120.2° | 120.2° |
| C10 | C7 | S11 | 121.0° | 120.0° |
| C7 | C10 | H10 | 120.2° | 120.1° |
| C7 | S11 | O12 | 108.3° | 104.3° |
| C7 | S11 | O13 | 108.0° | 104.3° |
| C7 | S11 | C14 | 109.4° | 104.4° |
| O12 | S11 | O13 | 113.4° | 121.0° |
| O12 | S11 | C14 | 107.4° | 110.6° |
| O13 | S11 | C14 | 110.3° | 110.5° |
| S11 | C14 | C1 | 113.9° | 109.5° |
| S11 | C14 | H141 | 108.0° | 109.5° |
| S11 | C14 | H142 | 107.0° | 109.4° |
| C14 | C1 | C6 | 120.1° | 120.0° |
| C14 | C1 | C2 | 121.5° | 120.0° |
| C1 | C14 | H141 | 108.1° | 109.5° |
| C1 | C14 | H142 | 107.0° | 109.5° |
| C6 | C1 | C2 | 118.4° | 119.9° |
| C1 | C6 | CL6 | 121.0° | 120.0° |
| C1 | C6 | C5 | 120.5° | 120.0° |
| C1 | C2 | CL5 | 122.2° | 120.0° |
| C1 | C2 | C3 | 120.1° | 120.0° |
| CL6 | C6 | C5 | 118.5° | 120.0° |
| C6 | C5 | C4 | 120.8° | 120.0° |
| C6 | C5 | H5 | 119.6° | 120.0° |
| CL5 | C2 | C3 | 117.8° | 120.0° |
| C2 | C3 | C4 | 121.0° | 120.0° |
| C2 | C3 | H3 | 119.5° | 120.0° |
| C3 | C4 | C5 | 119.3° | 120.0° |
| C4 | C3 | H3 | 119.5° | 119.9° |
| C3 | C4 | H4 | 120.3° | 120.0° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C5 | C4 | H4 | 120.4° | 120.0° |
| H421 | C42 | H422 | 106.3° | 110.4° |
| H431 | C43 | H432 | 110.8° | 109.5° |
| H401 | C40 | H402 | 105.1° | 110.8° |
| H341 | C34 | H342 | 106.8° | 110.1° |
| H371 | C37 | H372 | 106.8° | 110.7° |
| H351 | C35 | H352 | 105.3° | 110.4° |
| H361 | C36 | H362 | 105.3° | 110.8° |
| H411 | C41 | H412 | 103.4° | 110.9° |
| H291 | C29 | H292 | 109.4° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.4° | 109.4° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H141 | C14 | H142 | 113.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C30 | N38 | C23 | 179.3° | 179.7° |
| O31 | C30 | N38 | C39 | 1.8° | 0.0° |
| O31 | C30 | N38 | C42 | 176.4° | 179.7° |
| O31 | C30 | C23 | C24 | 64.2° | 90.0° |
| O31 | C30 | C23 | C22 | 115.0° | 90.3° |
| C30 | N38 | C39 | C42 | 178.5° | 179.7° |
| C30 | N38 | C39 | C43 | 50.6° | 61.7° |
| C30 | N38 | C39 | C40 | 177.8° | 178.9° |
| C30 | N38 | C42 | C41 | 154.1° | 155.9° |
| N38 | C30 | C23 | C24 | 116.5° | 90.3° |
| N38 | C30 | C23 | C22 | 64.3° | 89.4° |
| C30 | N38 | C39 | H39 | 61.1° | 59.3° |
| C30 | N38 | C42 | H421 | 85.9° | 37.0° |
| C30 | N38 | C42 | H422 | 32.5° | 85.3° |
| C23 | C30 | N38 | C39 | 177.4° | 179.7° |
| C23 | C30 | N38 | C42 | 4.3° | 0.1° |
| C30 | C23 | C24 | C22 | 179.3° | 179.8° |
| C30 | C23 | C24 | C29 | 0.6° | 0.1° |
| C30 | C23 | C24 | C25 | 179.6° | 180.0° |
| C30 | C23 | C22 | C28 | 0.3° | 0.0° |
| C30 | C23 | C22 | N26 | 179.6° | 180.0° |
| N38 | C39 | C43 | C40 | 124.3° | 117.9° |
| N38 | C39 | C43 | H39 | 115.4° | 120.9° |
| N38 | C39 | C40 | H39 | 117.1° | 119.5° |
| N38 | C39 | C43 | N33 | 80.9° | 55.0° |
| N38 | C39 | C40 | C41 | 23.0° | 22.2° |
| C39 | N38 | C42 | C41 | 24.4° | 23.8° |
| C39 | N38 | C42 | H421 | 95.6° | 142.7° |
| C39 | N38 | C42 | H422 | 146.0° | 95.0° |
| N38 | C39 | C43 | H431 | 159.2° | 175.0° |
| N38 | C39 | C43 | H432 | 38.4° | 65.0° |
| N38 | C39 | C40 | H401 | 142.9° | 96.2° |
| N38 | C39 | C40 | H402 | 99.2° | 140.5° |
| C42 | N38 | C39 | C43 | 127.9° | 118.6° |
| C42 | N38 | C39 | C40 | 0.7° | 0.8° |
| N38 | C42 | C41 | C40 | 37.8° | 36.7° |
| N38 | C42 | C41 | H421 | 120.0° | 118.9° |
| N38 | C42 | C41 | H422 | 121.6° | 118.8° |
| C42 | N38 | C39 | H39 | 120.4° | 120.4° |
| N38 | C42 | H421 | H422 | 121.7° | 122.2° |
| N38 | C42 | C41 | H411 | 82.1° | 154.9° |
| N38 | C42 | C41 | H412 | 160.7° | 81.4° |
| C43 | C39 | C40 | H39 | 112.5° | 121.1° |
| C39 | C43 | N33 | H431 | 120.0° | 120.0° |
| C39 | C43 | N33 | H432 | 119.3° | 120.0° |
| C39 | C43 | N33 | C34 | 170.1° | 170.0° |
| C39 | C43 | N33 | C37 | 51.8° | 72.6° |
| C43 | C39 | C40 | C41 | 107.5° | 141.6° |
| C39 | C43 | H431 | H432 | 119.3° | 120.0° |
| C43 | C39 | C40 | H401 | 12.5° | 23.3° |
| C43 | C39 | C40 | H402 | 130.4° | 100.0° |
| C40 | C39 | C43 | N33 | 154.8° | 172.8° |
| C39 | C40 | C41 | H401 | 120.0° | 118.4° |
| C39 | C40 | C41 | H402 | 122.2° | 118.4° |
| C39 | C40 | C41 | C42 | 36.7° | 35.3° |
| C40 | C39 | C43 | H431 | 34.8° | 67.2° |
| C40 | C39 | C43 | H432 | 85.9° | 52.8° |
| C39 | C40 | H401 | H402 | 122.4° | 123.2° |
| C39 | C40 | C41 | H411 | 83.3° | 153.6° |
| C39 | C40 | C41 | H412 | 159.6° | 82.6° |
| C43 | N33 | C34 | C37 | 126.6° | 120.5° |
| C43 | N33 | C34 | C35 | 167.9° | 145.9° |
| C43 | N33 | C37 | C36 | 166.4° | 159.7° |
| N33 | C43 | C39 | H39 | 34.5° | 66.0° |
| N33 | C43 | H431 | H432 | 119.3° | 120.0° |
| C43 | N33 | C34 | H341 | 47.8° | 26.6° |
| C43 | N33 | C34 | H342 | 70.8° | 94.8° |
| C43 | N33 | C37 | H371 | 73.6° | 81.8° |
| C43 | N33 | C37 | H372 | 45.1° | 41.2° |
| N33 | C34 | C35 | H341 | 120.0° | 119.3° |
| N33 | C34 | C35 | H342 | 121.3° | 119.3° |
| N33 | C34 | C35 | C36 | 25.4° | 1.2° |
| C34 | N33 | C37 | C36 | 41.5° | 39.2° |
| C34 | N33 | C43 | H431 | 50.0° | 70.0° |
| C34 | N33 | C43 | H432 | 70.7° | 49.9° |
| N33 | C34 | H341 | H342 | 121.4° | 121.3° |
| C34 | N33 | C37 | H371 | 161.5° | 157.7° |
| C34 | N33 | C37 | H372 | 79.8° | 79.3° |
| N33 | C34 | C35 | H351 | 145.4° | 120.1° |
| N33 | C34 | C35 | H352 | 96.6° | 117.7° |
| C37 | N33 | C34 | C35 | 41.2° | 25.3° |
| N33 | C37 | C36 | C35 | 25.6° | 37.4° |
| N33 | C37 | C36 | H371 | 120.0° | 118.5° |
| N33 | C37 | C36 | H372 | 121.3° | 118.4° |
| C37 | N33 | C43 | H431 | 68.2° | 47.4° |
| C37 | N33 | C43 | H432 | 171.1° | 167.4° |
| C37 | N33 | C34 | H341 | 78.8° | 94.0° |
| C37 | N33 | C34 | H342 | 162.6° | 144.6° |
| N33 | C37 | H371 | H372 | 121.4° | 123.0° |
| N33 | C37 | C36 | H361 | 145.6° | 155.8° |
| N33 | C37 | C36 | H362 | 96.5° | 81.0° |
| C34 | C35 | C36 | H351 | 120.0° | 118.9° |
| C34 | C35 | C36 | H352 | 122.0° | 118.9° |
| C34 | C35 | C36 | C37 | 0.2° | 22.0° |
| C35 | C34 | H341 | H342 | 121.4° | 121.2° |
| C34 | C35 | H351 | H352 | 122.2° | 122.2° |
| C34 | C35 | C36 | H361 | 120.2° | 140.3° |
| C34 | C35 | C36 | H362 | 121.9° | 96.4° |
| C35 | C36 | C37 | H361 | 120.0° | 118.4° |
| C35 | C36 | C37 | H362 | 122.0° | 118.4° |
| C36 | C35 | C34 | H341 | 94.6° | 118.1° |
| C36 | C35 | C34 | H342 | 146.8° | 120.6° |
| C35 | C36 | C37 | H371 | 145.6° | 155.9° |
| C35 | C36 | C37 | H372 | 95.7° | 81.0° |
| C36 | C35 | H351 | H352 | 122.2° | 122.1° |
| C35 | C36 | H361 | H362 | 122.2° | 123.3° |
| C36 | C37 | H371 | H372 | 121.4° | 123.1° |
| C37 | C36 | C35 | H351 | 119.8° | 97.0° |
| C37 | C36 | C35 | H352 | 122.2° | 140.8° |
| C37 | C36 | H361 | H362 | 122.2° | 123.2° |
| C40 | C41 | C42 | H411 | 120.0° | 118.2° |
| C40 | C41 | C42 | H412 | 122.9° | 118.1° |
| C41 | C40 | C39 | H39 | 140.0° | 97.3° |
| C40 | C41 | C42 | H421 | 82.2° | 155.6° |
| C40 | C41 | C42 | H422 | 159.4° | 82.1° |
| C41 | C40 | H401 | H402 | 122.4° | 123.2° |
| C40 | C41 | H411 | H412 | 123.3° | 123.9° |
| C41 | C42 | H421 | H422 | 121.7° | 122.2° |
| C42 | C41 | C40 | H401 | 156.6° | 83.0° |
| C42 | C41 | C40 | H402 | 85.5° | 153.7° |
| C42 | C41 | H411 | H412 | 123.3° | 123.7° |
| C23 | C24 | C29 | C25 | 179.7° | 179.9° |
| C24 | C23 | C22 | C28 | 179.6° | 179.8° |
| C24 | C23 | C22 | N26 | 0.3° | 0.3° |
| C23 | C24 | C25 | N26 | 0.2° | 0.1° |
| C23 | C24 | C25 | C | 180.0° | 180.0° |
| C23 | C24 | C29 | H291 | 13.4° | 90.0° |
| C23 | C24 | C29 | H292 | 106.5° | 150.0° |
| C23 | C24 | C29 | H293 | 133.5° | 30.0° |
| C22 | C23 | C24 | C29 | 179.9° | 179.7° |
| C22 | C23 | C24 | C25 | 0.3° | 0.2° |
| C23 | C22 | C28 | N26 | 179.9° | 180.0° |
| C23 | C22 | N26 | C25 | 0.2° | 0.2° |
| C23 | C22 | C28 | H281 | 149.7° | 90.0° |
| C23 | C22 | C28 | H282 | 29.7° | 150.0° |
| C23 | C22 | C28 | H283 | 90.3° | 30.0° |
| C23 | C22 | N26 | H26 | 179.8° | 179.9° |
| C29 | C24 | C25 | N26 | 180.0° | 179.8° |
| C29 | C24 | C25 | C | 0.2° | 0.1° |
| C24 | C29 | H291 | H292 | 120.0° | 120.0° |
| C24 | C29 | H291 | H293 | 120.0° | 120.0° |
| C24 | C29 | H292 | H293 | 120.0° | 120.0° |
| C24 | C25 | N26 | C22 | 0.0° | 0.1° |
| C24 | C25 | N26 | C | 179.8° | 179.9° |
| C24 | C25 | C | C21 | 179.3° | 146.1° |
| C25 | C24 | C29 | H291 | 166.8° | 89.9° |
| C25 | C24 | C29 | H292 | 73.2° | 30.1° |
| C25 | C24 | C29 | H293 | 46.8° | 150.1° |
| C24 | C25 | N26 | H26 | 180.0° | 179.8° |
| C24 | C25 | C | H | 0.7° | 34.0° |
| C28 | C22 | N26 | C25 | 179.8° | 179.8° |
| C22 | C28 | H281 | H282 | 120.0° | 120.0° |
| C22 | C28 | H281 | H283 | 120.0° | 119.9° |
| C22 | C28 | H282 | H283 | 120.0° | 120.0° |
| C28 | C22 | N26 | H26 | 0.2° | 0.1° |
| C22 | N26 | C25 | H26 | 180.0° | 179.7° |
| C22 | N26 | C25 | C | 179.8° | 179.9° |
| N26 | C22 | C28 | H281 | 30.3° | 90.0° |
| N26 | C22 | C28 | H282 | 150.4° | 30.0° |
| N26 | C22 | C28 | H283 | 89.6° | 150.1° |
| N26 | C25 | C | C21 | 0.9° | 34.0° |
| N26 | C25 | C | H | 179.1° | 145.9° |
| C25 | C | C21 | H | 180.0° | 179.9° |
| C25 | C | C21 | C20 | 0.0° | 7.5° |
| C25 | C | C21 | C17 | 179.7° | 172.8° |
| C | C25 | N26 | H26 | 0.2° | 0.1° |
| C | C21 | C20 | C17 | 179.7° | 179.7° |
| C | C21 | C20 | O32 | 0.0° | 0.0° |
| C | C21 | C20 | N19 | 179.9° | 180.0° |
| C | C21 | C17 | C18 | 180.0° | 179.9° |
| C | C21 | C17 | C10 | 0.3° | 0.1° |
| C21 | C20 | O32 | N19 | 179.9° | 180.0° |
| C21 | C20 | N19 | C18 | 0.4° | 0.0° |
| C20 | C21 | C17 | C18 | 0.2° | 0.4° |
| C20 | C21 | C17 | C10 | 179.5° | 179.7° |
| C20 | C21 | C | H | 180.0° | 172.5° |
| C21 | C20 | N19 | H19 | 179.6° | 180.0° |
| C17 | C21 | C20 | O32 | 179.8° | 179.8° |
| C17 | C21 | C20 | N19 | 0.4° | 0.3° |
| C21 | C17 | C18 | N19 | 0.0° | 0.4° |
| C21 | C17 | C18 | C9 | 179.7° | 179.8° |
| C21 | C17 | C18 | C10 | 179.7° | 180.0° |
| C21 | C17 | C10 | C7 | 179.0° | 179.2° |
| C17 | C21 | C | H | 0.3° | 7.1° |
| C21 | C17 | C10 | H10 | 1.0° | 0.1° |
| O32 | C20 | N19 | C18 | 179.7° | 180.0° |
| O32 | C20 | N19 | H19 | 0.3° | 0.0° |
| C20 | N19 | C18 | H19 | 180.0° | 180.0° |
| C20 | N19 | C18 | C9 | 179.4° | 180.0° |
| C20 | N19 | C18 | C17 | 0.2° | 0.2° |
| N19 | C18 | C9 | C17 | 179.6° | 179.7° |
| N19 | C18 | C9 | C8 | 179.2° | 180.0° |
| N19 | C18 | C17 | C10 | 179.7° | 179.6° |
| N19 | C18 | C9 | H9 | 0.8° | 0.0° |
| C18 | C9 | C8 | H9 | 180.0° | 180.0° |
| C18 | C9 | C8 | C7 | 0.3° | 0.1° |
| C9 | C18 | C17 | C10 | 0.0° | 0.1° |
| C9 | C18 | N19 | H19 | 0.6° | 0.0° |
| C18 | C9 | C8 | H8 | 179.7° | 180.0° |
| C17 | C18 | C9 | C8 | 0.4° | 0.2° |
| C18 | C17 | C10 | C7 | 0.6° | 0.8° |
| C17 | C18 | N19 | H19 | 179.8° | 179.7° |
| C17 | C18 | C9 | H9 | 179.6° | 179.7° |
| C18 | C17 | C10 | H10 | 179.4° | 179.9° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | C10 | 0.3° | 0.7° |
| C9 | C8 | C7 | S11 | 178.6° | 179.9° |
| C8 | C7 | C10 | C17 | 0.7° | 1.1° |
| C8 | C7 | C10 | S11 | 178.9° | 179.3° |
| C8 | C7 | S11 | O12 | 6.0° | 153.9° |
| C8 | C7 | S11 | O13 | 129.2° | 26.1° |
| C8 | C7 | S11 | C14 | 110.8° | 90.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C8 | C7 | C10 | H10 | 179.3° | 179.9° |
| C17 | C10 | C7 | H10 | 180.0° | 179.1° |
| C17 | C10 | C7 | S11 | 178.2° | 179.6° |
| C10 | C7 | S11 | O12 | 175.1° | 26.7° |
| C10 | C7 | S11 | O13 | 51.9° | 154.6° |
| C10 | C7 | S11 | C14 | 68.1° | 89.4° |
| C10 | C7 | C8 | H8 | 179.7° | 179.4° |
| C7 | S11 | O12 | O13 | 119.8° | 116.7° |
| C7 | S11 | O12 | C14 | 118.1° | 111.7° |
| C7 | S11 | O13 | C14 | 119.4° | 111.7° |
| C7 | S11 | C14 | C1 | 57.7° | 180.0° |
| S11 | C7 | C8 | H8 | 1.4° | 0.0° |
| S11 | C7 | C10 | H10 | 1.8° | 0.5° |
| C7 | S11 | C14 | H141 | 177.7° | 60.0° |
| C7 | S11 | C14 | H142 | 60.4° | 60.0° |
| O12 | S11 | O13 | C14 | 120.5° | 131.6° |
| O12 | S11 | C14 | C1 | 175.1° | 68.4° |
| O12 | S11 | C14 | H141 | 64.9° | 171.6° |
| O12 | S11 | C14 | H142 | 57.0° | 51.6° |
| O13 | S11 | C14 | C1 | 60.9° | 68.4° |
| O13 | S11 | C14 | H141 | 59.1° | 51.6° |
| O13 | S11 | C14 | H142 | 179.0° | 171.6° |
| S11 | C14 | C1 | H141 | 120.0° | 120.0° |
| S11 | C14 | C1 | H142 | 118.0° | 120.0° |
| S11 | C14 | C1 | C6 | 97.4° | 90.0° |
| S11 | C14 | C1 | C2 | 82.7° | 90.3° |
| S11 | C14 | H141 | H142 | 118.2° | 119.9° |
| C14 | C1 | C6 | C2 | 179.9° | 179.7° |
| C14 | C1 | C6 | CL6 | 0.2° | 0.0° |
| C14 | C1 | C6 | C5 | 179.7° | 180.0° |
| C14 | C1 | C2 | CL5 | 0.1° | 0.0° |
| C14 | C1 | C2 | C3 | 179.7° | 180.0° |
| C1 | C14 | H141 | H142 | 118.2° | 120.0° |
| C1 | C6 | CL6 | C5 | 179.5° | 180.0° |
| C6 | C1 | C2 | CL5 | 179.8° | 179.7° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C6 | C1 | C14 | H141 | 142.6° | 30.0° |
| C6 | C1 | C14 | H142 | 20.6° | 150.0° |
| C1 | C6 | C5 | H5 | 179.7° | 180.0° |
| C2 | C1 | C6 | CL6 | 179.9° | 179.7° |
| C2 | C1 | C6 | C5 | 0.4° | 0.3° |
| C1 | C2 | CL5 | C3 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C2 | C1 | C14 | H141 | 37.3° | 149.7° |
| C2 | C1 | C14 | H142 | 159.3° | 29.7° |
| C1 | C2 | C3 | H3 | 179.8° | 180.0° |
| CL6 | C6 | C5 | C4 | 179.8° | 180.0° |
| CL6 | C6 | C5 | H5 | 0.3° | 0.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.2° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| CL5 | C2 | C3 | C4 | 180.0° | 180.0° |
| CL5 | C2 | C3 | H3 | 0.0° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.2° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C5 | C4 | C3 | H3 | 180.0° | 179.7° |
| H39 | C39 | C43 | H431 | 85.5° | 54.0° |
| H39 | C39 | C43 | H432 | 153.8° | 174.0° |
| H39 | C39 | C40 | H401 | 100.0° | 144.3° |
| H39 | C39 | C40 | H402 | 17.9° | 21.1° |
| H421 | C42 | C41 | H411 | 157.9° | 86.2° |
| H421 | C42 | C41 | H412 | 40.7° | 37.5° |
| H422 | C42 | C41 | H411 | 39.5° | 36.1° |
| H422 | C42 | C41 | H412 | 77.7° | 159.8° |
| H401 | C40 | C41 | H411 | 36.7° | 35.2° |
| H401 | C40 | C41 | H412 | 80.5° | 159.1° |
| H402 | C40 | C41 | H411 | 154.5° | 88.1° |
| H402 | C40 | C41 | H412 | 37.4° | 35.8° |
| H341 | C34 | C35 | H351 | 25.4° | 0.8° |
| H341 | C34 | C35 | H352 | 143.4° | 123.0° |
| H342 | C34 | C35 | H351 | 93.2° | 120.6° |
| H342 | C34 | C35 | H352 | 24.7° | 1.7° |
| H371 | C37 | C36 | H361 | 94.4° | 85.7° |
| H371 | C37 | C36 | H362 | 23.6° | 37.5° |
| H372 | C37 | C36 | H361 | 24.3° | 37.4° |
| H372 | C37 | C36 | H362 | 142.2° | 160.6° |
| H351 | C35 | C36 | H361 | 0.2° | 21.4° |
| H351 | C35 | C36 | H362 | 118.1° | 144.7° |
| H352 | C35 | C36 | H361 | 117.8° | 100.8° |
| H352 | C35 | C36 | H362 | 0.2° | 22.5° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H9 | C9 | C8 | H8 | 0.3° | 0.1° |
| H5 | C5 | C4 | H4 | 0.0° | 0.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.1° |
