KFM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O46 | S45 | doub | 1.42Å | 1.43Å | |
| S45 | O47 | doub | 1.42Å | 1.43Å | |
| S45 | O48 | sing | 1.52Å | 1.43Å | |
| S45 | C42 | sing | 1.76Å | 1.81Å | |
| C43 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.37Å | Aromatic |
| C44 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.39Å | 1.42Å | Aromatic |
| C39 | N38 | sing | 1.40Å | 1.46Å | |
| N38 | C37 | sing | 1.40Å | 1.43Å | |
| C37 | C36 | doub | 1.39Å | 1.41Å | Aromatic |
| C37 | C49 | sing | 1.39Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C49 | C50 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C50 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | C16 | sing | 1.51Å | 1.55Å | |
| C16 | C13 | sing | 1.51Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.39Å | |
| C18 | C17 | doub | 1.38Å | 1.47Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C33 | sing | 1.38Å | 1.45Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.47Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | N09 | sing | 1.40Å | 1.45Å | |
| C33 | C32 | doub | 1.38Å | 1.35Å | Aromatic |
| N09 | C08 | sing | 1.40Å | 1.44Å | |
| C20 | C32 | sing | 1.39Å | 1.45Å | Aromatic |
| C20 | N21 | sing | 1.40Å | 1.31Å | |
| N21 | C22 | sing | 1.40Å | 1.46Å | |
| C08 | C51 | doub | 1.39Å | 1.42Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C52 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | S02 | sing | 1.76Å | 1.83Å | |
| O03 | S02 | doub | 1.42Å | 1.43Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| S02 | O04 | doub | 1.42Å | 1.43Å | |
| S02 | O01 | sing | 1.52Å | 1.43Å | |
| C25 | S28 | sing | 1.76Å | 1.83Å | |
| S28 | O29 | doub | 1.42Å | 1.43Å | |
| S28 | O31 | doub | 1.42Å | 1.43Å | |
| S28 | O30 | sing | 1.52Å | 1.43Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C49 | H491 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N21 | H531 | sing | 0.97Å | 1.00Å | |
| N38 | H381 | sing | 0.97Å | 1.00Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| O30 | H3 | sing | 0.97Å | 0.95Å | |
| O48 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O46 | S45 | O47 | 113.9° | 123.1° |
| O46 | S45 | O48 | 113.1° | 106.4° |
| O46 | S45 | C42 | 105.5° | 106.4° |
| O47 | S45 | O48 | 112.7° | 106.4° |
| O47 | S45 | C42 | 104.2° | 106.4° |
| O48 | S45 | C42 | 106.5° | 107.2° |
| S45 | O48 | H4 | 109.5° | 114.1° |
| S45 | C42 | C43 | 123.2° | 119.9° |
| S45 | C42 | C41 | 122.7° | 119.9° |
| C42 | C43 | C44 | 123.6° | 120.1° |
| C43 | C42 | C41 | 114.1° | 120.2° |
| C42 | C43 | H431 | 118.2° | 119.9° |
| C43 | C44 | C39 | 122.7° | 119.9° |
| C44 | C43 | H431 | 118.2° | 120.0° |
| C43 | C44 | H441 | 118.6° | 120.0° |
| C42 | C41 | C40 | 123.4° | 120.0° |
| C42 | C41 | H411 | 118.3° | 120.0° |
| C44 | C39 | C40 | 113.5° | 119.8° |
| C44 | C39 | N38 | 123.3° | 120.1° |
| C39 | C44 | H441 | 118.6° | 120.0° |
| C41 | C40 | C39 | 122.6° | 120.0° |
| C41 | C40 | H401 | 118.7° | 120.0° |
| C40 | C41 | H411 | 118.3° | 120.0° |
| C40 | C39 | N38 | 123.2° | 120.1° |
| C39 | C40 | H401 | 118.7° | 120.0° |
| C39 | N38 | C37 | 129.5° | 120.0° |
| C39 | N38 | H381 | 115.3° | 119.9° |
| N38 | C37 | C36 | 124.1° | 120.0° |
| N38 | C37 | C49 | 125.1° | 120.1° |
| C37 | N38 | H381 | 115.2° | 120.1° |
| C36 | C37 | C49 | 110.8° | 119.8° |
| C37 | C36 | C35 | 124.1° | 119.9° |
| C37 | C36 | H361 | 117.9° | 120.0° |
| C37 | C49 | C50 | 124.0° | 120.0° |
| C37 | C49 | H491 | 118.0° | 120.0° |
| C36 | C35 | C34 | 126.3° | 120.1° |
| C36 | C35 | H351 | 116.9° | 120.0° |
| C35 | C36 | H361 | 117.9° | 120.0° |
| C49 | C50 | C34 | 125.6° | 120.1° |
| C50 | C49 | H491 | 118.0° | 120.0° |
| C49 | C50 | H501 | 117.2° | 120.0° |
| C35 | C34 | C50 | 109.2° | 120.1° |
| C35 | C34 | C16 | 125.5° | 120.0° |
| C34 | C35 | H351 | 116.9° | 120.0° |
| C50 | C34 | C16 | 125.3° | 119.9° |
| C34 | C50 | H501 | 117.2° | 119.9° |
| C34 | C16 | C13 | 120.8° | 109.5° |
| C34 | C16 | C17 | 117.2° | 109.5° |
| C34 | C16 | H1 | 91.1° | 109.4° |
| C13 | C16 | C17 | 121.9° | 109.5° |
| C16 | C13 | C12 | 122.3° | 119.9° |
| C16 | C13 | C14 | 129.8° | 119.9° |
| C13 | C16 | H1 | 91.1° | 109.4° |
| C16 | C17 | C18 | 127.8° | 119.9° |
| C16 | C17 | C33 | 126.8° | 119.9° |
| C17 | C16 | H1 | 91.2° | 109.5° |
| C17 | C18 | C19 | 127.6° | 120.0° |
| C18 | C17 | C33 | 105.4° | 120.2° |
| C17 | C18 | H181 | 116.2° | 120.0° |
| C18 | C19 | C20 | 125.5° | 120.0° |
| C19 | C18 | H181 | 116.2° | 120.0° |
| C18 | C19 | H191 | 117.3° | 120.0° |
| C13 | C12 | C11 | 127.0° | 120.0° |
| C12 | C13 | C14 | 107.9° | 120.2° |
| C13 | C12 | H121 | 116.5° | 120.0° |
| C12 | C11 | C10 | 124.9° | 119.9° |
| C12 | C11 | H111 | 117.5° | 120.0° |
| C11 | C12 | H121 | 116.5° | 120.0° |
| C13 | C14 | C15 | 126.3° | 120.0° |
| C13 | C14 | H141 | 116.8° | 120.0° |
| C17 | C33 | C32 | 127.7° | 120.1° |
| C17 | C33 | H331 | 116.1° | 119.9° |
| C11 | C10 | C15 | 110.1° | 119.9° |
| C11 | C10 | N09 | 121.3° | 120.1° |
| C10 | C11 | H111 | 117.6° | 120.1° |
| C19 | C20 | C32 | 107.0° | 119.8° |
| C19 | C20 | N21 | 124.6° | 120.1° |
| C20 | C19 | H191 | 117.3° | 120.0° |
| C14 | C15 | C10 | 123.8° | 119.9° |
| C15 | C14 | H141 | 116.9° | 120.0° |
| C14 | C15 | H151 | 118.1° | 120.1° |
| C15 | C10 | N09 | 128.7° | 120.1° |
| C10 | C15 | H151 | 118.1° | 120.0° |
| C10 | N09 | C08 | 136.5° | 120.0° |
| C10 | N09 | H091 | 111.8° | 120.0° |
| C33 | C32 | C20 | 126.8° | 119.9° |
| C33 | C32 | H321 | 116.6° | 120.0° |
| C32 | C33 | H331 | 116.1° | 120.0° |
| N09 | C08 | C51 | 121.8° | 120.0° |
| N09 | C08 | C07 | 124.5° | 120.1° |
| C08 | N09 | H091 | 111.7° | 120.0° |
| C32 | C20 | N21 | 128.4° | 120.1° |
| C20 | C32 | H321 | 116.6° | 120.0° |
| C20 | N21 | C22 | 130.6° | 120.0° |
| C20 | N21 | H531 | 114.7° | 120.0° |
| N21 | C22 | C23 | 122.8° | 120.1° |
| N21 | C22 | C27 | 123.1° | 120.1° |
| C22 | N21 | H531 | 114.7° | 120.0° |
| C51 | C08 | C07 | 113.7° | 119.9° |
| C08 | C51 | C52 | 122.3° | 119.9° |
| C08 | C51 | H511 | 118.8° | 120.1° |
| C08 | C07 | C06 | 122.6° | 119.9° |
| C08 | C07 | H071 | 118.7° | 120.0° |
| C51 | C52 | C05 | 123.7° | 120.1° |
| C52 | C51 | H511 | 118.9° | 120.0° |
| C51 | C52 | H521 | 118.1° | 120.0° |
| C07 | C06 | C05 | 123.8° | 120.1° |
| C07 | C06 | H061 | 118.1° | 119.9° |
| C06 | C07 | H071 | 118.7° | 120.1° |
| C23 | C22 | C27 | 114.1° | 119.9° |
| C22 | C23 | C24 | 122.8° | 119.9° |
| C22 | C23 | H231 | 118.6° | 120.0° |
| C22 | C27 | C26 | 121.9° | 119.9° |
| C22 | C27 | H271 | 119.1° | 120.1° |
| C52 | C05 | C06 | 113.9° | 120.1° |
| C52 | C05 | S02 | 123.5° | 119.9° |
| C05 | C52 | H521 | 118.1° | 119.9° |
| C23 | C24 | C25 | 123.6° | 120.1° |
| C24 | C23 | H231 | 118.6° | 120.0° |
| C23 | C24 | H241 | 118.2° | 119.9° |
| C06 | C05 | S02 | 122.6° | 119.9° |
| C05 | C06 | H061 | 118.1° | 120.0° |
| C27 | C26 | C25 | 123.5° | 120.1° |
| C27 | C26 | H261 | 118.2° | 119.9° |
| C26 | C27 | H271 | 119.0° | 120.0° |
| C05 | S02 | O03 | 106.7° | 106.4° |
| C05 | S02 | O04 | 105.6° | 106.4° |
| C05 | S02 | O01 | 105.2° | 107.2° |
| O03 | S02 | O04 | 111.9° | 123.1° |
| O03 | S02 | O01 | 113.2° | 106.4° |
| C24 | C25 | C26 | 114.1° | 120.2° |
| C24 | C25 | S28 | 122.1° | 119.9° |
| C25 | C24 | H241 | 118.2° | 120.0° |
| C26 | C25 | S28 | 123.8° | 119.9° |
| C25 | C26 | H261 | 118.3° | 120.0° |
| O04 | S02 | O01 | 113.6° | 106.4° |
| S02 | O01 | H2 | 109.5° | 114.0° |
| C25 | S28 | O29 | 106.3° | 106.4° |
| C25 | S28 | O31 | 105.0° | 106.4° |
| C25 | S28 | O30 | 105.9° | 107.2° |
| O29 | S28 | O31 | 112.7° | 123.2° |
| O29 | S28 | O30 | 113.1° | 106.4° |
| O31 | S28 | O30 | 113.0° | 106.4° |
| S28 | O30 | H3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O46 | S45 | O47 | O48 | 130.5° | 122.9° |
| O46 | S45 | O47 | C42 | 114.5° | 123.0° |
| O46 | S45 | O48 | C42 | 115.4° | 113.5° |
| O46 | S45 | C42 | C43 | 9.3° | 23.5° |
| O46 | S45 | C42 | C41 | 171.2° | 156.4° |
| O46 | S45 | O48 | H4 | 130.9° | 66.5° |
| O47 | S45 | O48 | C42 | 113.7° | 113.6° |
| O47 | S45 | C42 | C43 | 110.9° | 156.4° |
| O47 | S45 | C42 | C41 | 68.5° | 23.5° |
| O47 | S45 | O48 | H4 | 0.0° | 66.4° |
| O48 | S45 | C42 | C43 | 129.7° | 90.0° |
| O48 | S45 | C42 | C41 | 50.8° | 90.0° |
| S45 | C42 | C43 | C41 | 179.5° | 180.0° |
| S45 | C42 | C43 | C44 | 180.0° | 179.7° |
| S45 | C42 | C41 | C40 | 180.0° | 180.0° |
| S45 | C42 | C41 | H411 | 0.0° | 0.1° |
| S45 | C42 | C43 | H431 | 0.0° | 0.1° |
| C42 | S45 | O48 | H4 | 113.7° | 180.0° |
| C42 | C43 | C44 | H431 | 180.0° | 179.8° |
| C42 | C43 | C44 | C39 | 0.5° | 0.6° |
| C43 | C42 | C41 | C40 | 0.5° | 0.0° |
| C43 | C42 | C41 | H411 | 179.5° | 180.0° |
| C42 | C43 | C44 | H441 | 179.5° | 180.0° |
| C44 | C43 | C42 | C41 | 0.5° | 0.3° |
| C43 | C44 | C39 | H441 | 180.0° | 179.4° |
| C43 | C44 | C39 | C40 | 0.4° | 0.6° |
| C43 | C44 | C39 | N38 | 180.0° | 179.7° |
| C42 | C41 | C40 | H411 | 180.0° | 179.9° |
| C42 | C41 | C40 | C39 | 0.5° | 0.0° |
| C42 | C41 | C40 | H401 | 179.5° | 179.9° |
| C41 | C42 | C43 | H431 | 179.5° | 179.9° |
| C44 | C39 | C40 | C41 | 0.4° | 0.3° |
| C44 | C39 | C40 | N38 | 179.6° | 179.8° |
| C44 | C39 | N38 | C37 | 170.5° | 31.1° |
| C44 | C39 | C40 | H401 | 179.6° | 179.8° |
| C39 | C44 | C43 | H431 | 179.5° | 179.6° |
| C44 | C39 | N38 | H381 | 9.5° | 148.8° |
| C41 | C40 | C39 | H401 | 180.0° | 179.9° |
| C41 | C40 | C39 | N38 | 180.0° | 179.9° |
| C40 | C39 | N38 | C37 | 10.0° | 149.1° |
| C39 | C40 | C41 | H411 | 179.5° | 180.0° |
| C40 | C39 | C44 | H441 | 179.6° | 180.0° |
| C40 | C39 | N38 | H381 | 170.0° | 31.0° |
| C39 | N38 | C37 | H381 | 180.0° | 179.9° |
| C39 | N38 | C37 | C36 | 21.2° | 149.1° |
| C39 | N38 | C37 | C49 | 158.2° | 31.1° |
| N38 | C39 | C40 | H401 | 0.0° | 0.0° |
| N38 | C39 | C44 | H441 | 0.0° | 0.3° |
| N38 | C37 | C36 | C49 | 179.5° | 179.9° |
| N38 | C37 | C36 | C35 | 179.5° | 180.0° |
| N38 | C37 | C49 | C50 | 179.6° | 179.8° |
| N38 | C37 | C36 | H361 | 0.5° | 0.1° |
| N38 | C37 | C49 | H491 | 0.4° | 0.1° |
| C37 | C36 | C35 | H361 | 180.0° | 179.9° |
| C36 | C37 | C49 | C50 | 0.1° | 0.3° |
| C37 | C36 | C35 | C34 | 0.3° | 0.1° |
| C37 | C36 | C35 | H351 | 179.7° | 180.0° |
| C36 | C37 | C49 | H491 | 179.9° | 180.0° |
| C36 | C37 | N38 | H381 | 158.8° | 30.8° |
| C49 | C37 | C36 | C35 | 0.0° | 0.1° |
| C37 | C49 | C50 | H491 | 180.0° | 179.7° |
| C37 | C49 | C50 | C34 | 0.1° | 0.5° |
| C49 | C37 | C36 | H361 | 179.9° | 180.0° |
| C37 | C49 | C50 | H501 | 179.9° | 180.0° |
| C49 | C37 | N38 | H381 | 21.8° | 149.0° |
| C36 | C35 | C34 | H351 | 180.0° | 179.9° |
| C36 | C35 | C34 | C50 | 0.4° | 0.3° |
| C36 | C35 | C34 | C16 | 179.9° | 179.9° |
| C49 | C50 | C34 | C35 | 0.3° | 0.5° |
| C49 | C50 | C34 | H501 | 180.0° | 179.5° |
| C49 | C50 | C34 | C16 | 179.8° | 179.7° |
| C35 | C34 | C50 | C16 | 179.4° | 179.7° |
| C35 | C34 | C16 | C13 | 64.9° | 113.1° |
| C35 | C34 | C16 | C17 | 111.3° | 126.9° |
| C35 | C34 | C16 | H1 | 156.8° | 6.9° |
| C34 | C35 | C36 | H361 | 179.7° | 180.0° |
| C35 | C34 | C50 | H501 | 179.7° | 180.0° |
| C50 | C34 | C16 | C13 | 114.4° | 67.2° |
| C50 | C34 | C16 | C17 | 69.3° | 52.8° |
| C50 | C34 | C16 | H1 | 22.5° | 172.9° |
| C50 | C34 | C35 | H351 | 179.6° | 179.8° |
| C34 | C50 | C49 | H491 | 179.9° | 179.7° |
| C34 | C16 | C13 | C17 | 176.0° | 120.0° |
| C34 | C16 | C13 | H1 | 91.9° | 119.9° |
| C34 | C16 | C17 | H1 | 91.8° | 120.0° |
| C34 | C16 | C17 | C18 | 1.8° | 73.2° |
| C34 | C16 | C13 | C12 | 63.5° | 174.7° |
| C34 | C16 | C13 | C14 | 115.2° | 5.3° |
| C34 | C16 | C17 | C33 | 178.9° | 106.5° |
| C16 | C34 | C35 | H351 | 0.1° | 0.1° |
| C16 | C34 | C50 | H501 | 0.2° | 0.2° |
| C13 | C16 | C17 | H1 | 92.0° | 120.0° |
| C13 | C16 | C17 | C18 | 177.9° | 46.8° |
| C16 | C13 | C12 | C14 | 179.0° | 180.0° |
| C16 | C13 | C12 | C11 | 179.8° | 180.0° |
| C13 | C16 | C17 | C33 | 2.7° | 133.5° |
| C16 | C13 | C14 | C15 | 179.5° | 179.9° |
| C16 | C13 | C12 | H121 | 0.2° | 0.0° |
| C16 | C13 | C14 | H141 | 0.5° | 0.0° |
| C16 | C17 | C18 | C33 | 179.4° | 179.7° |
| C16 | C17 | C18 | C19 | 179.1° | 180.0° |
| C17 | C16 | C13 | C12 | 112.5° | 54.7° |
| C17 | C16 | C13 | C14 | 68.7° | 125.4° |
| C16 | C17 | C33 | C32 | 178.9° | 179.8° |
| C16 | C17 | C18 | H181 | 0.9° | 0.0° |
| C16 | C17 | C33 | H331 | 1.1° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C18 | C17 | C33 | C32 | 0.6° | 0.5° |
| C18 | C17 | C16 | H1 | 90.0° | 166.8° |
| C17 | C18 | C19 | H191 | 179.7° | 180.0° |
| C18 | C17 | C33 | H331 | 179.4° | 179.7° |
| C19 | C18 | C17 | C33 | 0.4° | 0.3° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | C32 | 0.2° | 0.0° |
| C18 | C19 | C20 | N21 | 179.7° | 179.9° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.5° | 0.1° |
| C12 | C13 | C14 | C15 | 0.6° | 0.1° |
| C13 | C12 | C11 | H111 | 179.5° | 180.0° |
| C12 | C13 | C14 | H141 | 179.4° | 180.0° |
| C12 | C13 | C16 | H1 | 155.4° | 65.4° |
| C11 | C12 | C13 | C14 | 0.8° | 0.1° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 0.0° | 0.1° |
| C12 | C11 | C10 | N09 | 179.9° | 179.7° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | C10 | 0.2° | 0.1° |
| C14 | C13 | C12 | H121 | 179.2° | 180.0° |
| C13 | C14 | C15 | H151 | 179.8° | 179.7° |
| C14 | C13 | C16 | H1 | 23.4° | 114.6° |
| C17 | C33 | C32 | H331 | 180.0° | 179.8° |
| C17 | C33 | C32 | C20 | 0.8° | 0.5° |
| C33 | C17 | C16 | H1 | 89.3° | 13.5° |
| C33 | C17 | C18 | H181 | 179.7° | 179.7° |
| C17 | C33 | C32 | H321 | 179.3° | 179.7° |
| C11 | C10 | C15 | C14 | 0.1° | 0.1° |
| C11 | C10 | C15 | N09 | 179.9° | 179.7° |
| C11 | C10 | N09 | C08 | 170.3° | 31.2° |
| C10 | C11 | C12 | H121 | 179.5° | 180.0° |
| C11 | C10 | C15 | H151 | 179.9° | 179.7° |
| C11 | C10 | N09 | H091 | 9.7° | 148.7° |
| C19 | C20 | C32 | C33 | 0.5° | 0.2° |
| C19 | C20 | C32 | N21 | 179.5° | 180.0° |
| C19 | C20 | N21 | C22 | 179.9° | 149.0° |
| C20 | C19 | C18 | H181 | 179.8° | 180.0° |
| C19 | C20 | C32 | H321 | 179.5° | 180.0° |
| C19 | C20 | N21 | H531 | 0.1° | 30.9° |
| C14 | C15 | C10 | H151 | 180.0° | 179.8° |
| C14 | C15 | C10 | N09 | 180.0° | 179.8° |
| C15 | C10 | N09 | C08 | 9.8° | 149.1° |
| C15 | C10 | C11 | H111 | 180.0° | 180.0° |
| C10 | C15 | C14 | H141 | 179.8° | 179.9° |
| C15 | C10 | N09 | H091 | 170.2° | 31.0° |
| C10 | N09 | C08 | H091 | 180.0° | 179.9° |
| C10 | N09 | C08 | C51 | 178.4° | 152.1° |
| C10 | N09 | C08 | C07 | 2.1° | 28.2° |
| N09 | C10 | C11 | H111 | 0.1° | 0.3° |
| N09 | C10 | C15 | H151 | 0.0° | 0.1° |
| C33 | C32 | C20 | H321 | 180.0° | 179.8° |
| C33 | C32 | C20 | N21 | 179.9° | 179.8° |
| N09 | C08 | C51 | C07 | 179.6° | 179.7° |
| N09 | C08 | C51 | C52 | 179.6° | 180.0° |
| N09 | C08 | C07 | C06 | 179.8° | 179.7° |
| N09 | C08 | C07 | H071 | 0.2° | 0.2° |
| N09 | C08 | C51 | H511 | 0.3° | 0.2° |
| C32 | C20 | N21 | C22 | 0.7° | 31.0° |
| C32 | C20 | C19 | H191 | 179.7° | 180.0° |
| C20 | C32 | C33 | H331 | 179.3° | 179.8° |
| C32 | C20 | N21 | H531 | 179.3° | 149.1° |
| C20 | N21 | C22 | H531 | 180.0° | 179.9° |
| C20 | N21 | C22 | C23 | 103.0° | 149.1° |
| C20 | N21 | C22 | C27 | 78.4° | 31.2° |
| N21 | C20 | C19 | H191 | 0.3° | 0.0° |
| N21 | C20 | C32 | H321 | 0.1° | 0.0° |
| N21 | C22 | C23 | C27 | 178.7° | 179.7° |
| N21 | C22 | C23 | C24 | 179.2° | 179.7° |
| N21 | C22 | C27 | C26 | 179.3° | 179.8° |
| N21 | C22 | C23 | H231 | 0.8° | 0.3° |
| N21 | C22 | C27 | H271 | 0.7° | 0.4° |
| C08 | C51 | C52 | H511 | 180.0° | 179.8° |
| C51 | C08 | C07 | C06 | 0.2° | 0.0° |
| C08 | C51 | C52 | C05 | 0.0° | 0.5° |
| C51 | C08 | C07 | H071 | 179.8° | 179.9° |
| C08 | C51 | C52 | H521 | 179.9° | 180.0° |
| C51 | C08 | N09 | H091 | 1.6° | 27.9° |
| C07 | C08 | C51 | C52 | 0.0° | 0.2° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.4° | 0.0° |
| C08 | C07 | C06 | H061 | 179.6° | 180.0° |
| C07 | C08 | C51 | H511 | 179.9° | 180.0° |
| C07 | C08 | N09 | H091 | 177.9° | 151.9° |
| C51 | C52 | C05 | H521 | 180.0° | 179.5° |
| C51 | C52 | C05 | C06 | 0.1° | 0.5° |
| C51 | C52 | C05 | S02 | 179.8° | 179.8° |
| C07 | C06 | C05 | C52 | 0.3° | 0.3° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | S02 | 180.0° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C23 | C22 | C27 | C26 | 0.6° | 0.1° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H241 | 179.9° | 180.0° |
| C23 | C22 | C27 | H271 | 179.4° | 179.9° |
| C23 | C22 | N21 | H531 | 77.0° | 30.9° |
| C27 | C22 | C23 | C24 | 0.5° | 0.0° |
| C22 | C27 | C26 | H271 | 180.0° | 179.9° |
| C22 | C27 | C26 | C25 | 0.3° | 0.1° |
| C27 | C22 | C23 | H231 | 179.6° | 180.0° |
| C22 | C27 | C26 | H261 | 179.7° | 179.9° |
| C27 | C22 | N21 | H531 | 101.6° | 148.8° |
| C52 | C05 | C06 | S02 | 179.7° | 179.7° |
| C52 | C05 | S02 | O03 | 90.6° | 23.3° |
| C52 | C05 | S02 | O04 | 28.5° | 156.2° |
| C52 | C05 | S02 | O01 | 148.9° | 90.3° |
| C52 | C05 | C06 | H061 | 179.7° | 179.7° |
| C05 | C52 | C51 | H511 | 180.0° | 179.7° |
| C23 | C24 | C25 | H241 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | S28 | 179.9° | 179.9° |
| C06 | C05 | S02 | O03 | 89.7° | 156.4° |
| C06 | C05 | S02 | O04 | 151.2° | 23.5° |
| C06 | C05 | S02 | O01 | 30.8° | 90.0° |
| C05 | C06 | C07 | H071 | 179.6° | 179.9° |
| C06 | C05 | C52 | H521 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C27 | C26 | C25 | S28 | 179.8° | 180.0° |
| C05 | S02 | O03 | O04 | 114.9° | 122.9° |
| C05 | S02 | O03 | O01 | 115.2° | 114.1° |
| C05 | S02 | O04 | O01 | 114.7° | 114.1° |
| S02 | C05 | C06 | H061 | 0.0° | 0.0° |
| S02 | C05 | C52 | H521 | 0.2° | 0.3° |
| C05 | S02 | O01 | H2 | 116.1° | 180.0° |
| O03 | S02 | O04 | O01 | 129.7° | 123.0° |
| O03 | S02 | O01 | H2 | 0.0° | 66.5° |
| C24 | C25 | C26 | S28 | 179.8° | 180.0° |
| C24 | C25 | S28 | O29 | 34.9° | 23.5° |
| C24 | C25 | S28 | O31 | 84.7° | 156.5° |
| C24 | C25 | S28 | O30 | 155.5° | 90.0° |
| C25 | C24 | C23 | H231 | 179.9° | 179.9° |
| C24 | C25 | C26 | H261 | 180.0° | 179.9° |
| C26 | C25 | S28 | O29 | 144.8° | 156.4° |
| C26 | C25 | S28 | O31 | 95.5° | 23.5° |
| C26 | C25 | S28 | O30 | 24.3° | 90.0° |
| C26 | C25 | C24 | H241 | 179.8° | 179.9° |
| C25 | C26 | C27 | H271 | 179.7° | 180.0° |
| O04 | S02 | O01 | H2 | 129.0° | 66.4° |
| C25 | S28 | O29 | O31 | 114.5° | 123.0° |
| C25 | S28 | O29 | O30 | 115.8° | 114.1° |
| C25 | S28 | O31 | O30 | 114.9° | 114.1° |
| S28 | C25 | C24 | H241 | 0.1° | 0.0° |
| S28 | C25 | C26 | H261 | 0.2° | 0.0° |
| C25 | S28 | O30 | H3 | 114.4° | 179.9° |
| O29 | S28 | O31 | O30 | 129.8° | 122.9° |
| O29 | S28 | O30 | H3 | 129.6° | 66.5° |
| O31 | S28 | O30 | H3 | 0.0° | 66.4° |
| H061 | C06 | C07 | H071 | 0.4° | 0.1° |
| H111 | C11 | C12 | H121 | 0.5° | 0.0° |
| H141 | C14 | C15 | H151 | 0.2° | 0.2° |
| H181 | C18 | C19 | H191 | 0.3° | 0.1° |
| H231 | C23 | C24 | H241 | 0.1° | 0.0° |
| H261 | C26 | C27 | H271 | 0.3° | 0.0° |
| H321 | C32 | C33 | H331 | 0.7° | 0.0° |
| H351 | C35 | C36 | H361 | 0.3° | 0.1° |
| H401 | C40 | C41 | H411 | 0.5° | 0.1° |
| H431 | C43 | C44 | H441 | 0.5° | 0.2° |
| H491 | C49 | C50 | H501 | 0.1° | 0.3° |
| H511 | C51 | C52 | H521 | 0.0° | 0.2° |
