A1IZO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S59 | O60 | doub | 1.42Å | 1.44Å | |
| S59 | O61 | sing | 1.52Å | 1.45Å | |
| S59 | O62 | doub | 1.42Å | 1.41Å | |
| O58 | S59 | sing | 1.52Å | 1.72Å | |
| C25 | O58 | sing | 1.36Å | 1.39Å | |
| S64 | O65 | doub | 1.42Å | 1.44Å | |
| S64 | O66 | sing | 1.52Å | 1.44Å | |
| S64 | O67 | doub | 1.42Å | 1.40Å | |
| O63 | S64 | sing | 1.52Å | 1.70Å | |
| C27 | O63 | sing | 1.36Å | 1.36Å | |
| S69 | O70 | sing | 1.52Å | 1.44Å | |
| S69 | O71 | doub | 1.42Å | 1.43Å | |
| S69 | O72 | doub | 1.42Å | 1.41Å | |
| O68 | S69 | sing | 1.52Å | 1.71Å | |
| C30 | O68 | sing | 1.36Å | 1.36Å | |
| S74 | O75 | doub | 1.42Å | 1.44Å | |
| S74 | O76 | sing | 1.52Å | 1.44Å | |
| S74 | O77 | doub | 1.42Å | 1.40Å | |
| O73 | S74 | sing | 1.52Å | 1.67Å | |
| C28 | O73 | sing | 1.36Å | 1.36Å | |
| S79 | O80 | doub | 1.42Å | 1.43Å | |
| S79 | O81 | sing | 1.52Å | 1.44Å | |
| S79 | O82 | doub | 1.42Å | 1.40Å | |
| O78 | S79 | sing | 1.52Å | 1.70Å | |
| C04 | O78 | sing | 1.36Å | 1.38Å | |
| S84 | O85 | doub | 1.42Å | 1.43Å | |
| S84 | O86 | sing | 1.52Å | 1.44Å | |
| S84 | O87 | doub | 1.42Å | 1.41Å | |
| O83 | S84 | sing | 1.52Å | 1.71Å | |
| C14 | O83 | sing | 1.36Å | 1.35Å | |
| S89 | O90 | doub | 1.42Å | 1.44Å | |
| S89 | O91 | sing | 1.52Å | 1.45Å | |
| S89 | O92 | doub | 1.42Å | 1.40Å | |
| O88 | S89 | sing | 1.52Å | 1.69Å | |
| C02 | O88 | sing | 1.36Å | 1.36Å | |
| S94 | O95 | sing | 1.52Å | 1.44Å | |
| S94 | O96 | doub | 1.42Å | 1.43Å | |
| S94 | O97 | doub | 1.42Å | 1.41Å | |
| O93 | S94 | sing | 1.52Å | 1.65Å | |
| C16 | O93 | sing | 1.36Å | 1.36Å | |
| S99 | OA0 | doub | 1.42Å | 1.44Å | |
| S99 | OA1 | sing | 1.52Å | 1.45Å | |
| S99 | OA2 | doub | 1.42Å | 1.40Å | |
| O98 | S99 | sing | 1.52Å | 1.66Å | |
| C52 | O98 | sing | 1.36Å | 1.35Å | |
| SA4 | OA5 | sing | 1.52Å | 1.45Å | |
| SA4 | OA6 | doub | 1.42Å | 1.42Å | |
| SA4 | OA7 | doub | 1.42Å | 1.40Å | |
| OA3 | SA4 | sing | 1.52Å | 1.65Å | |
| C54 | OA3 | sing | 1.36Å | 1.34Å | |
| SA9 | OAA | sing | 1.52Å | 1.44Å | |
| SA9 | OAB | doub | 1.42Å | 1.44Å | |
| SA9 | OAC | doub | 1.42Å | 1.39Å | |
| OA8 | SA9 | sing | 1.52Å | 1.67Å | |
| C49 | OA8 | sing | 1.36Å | 1.34Å | |
| SAE | OAF | sing | 1.52Å | 1.44Å | |
| SAE | OAG | doub | 1.42Å | 1.45Å | |
| SAE | OAH | doub | 1.42Å | 1.40Å | |
| OAD | SAE | sing | 1.52Å | 1.73Å | |
| C51 | OAD | sing | 1.36Å | 1.37Å | |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.41Å | Aromatic |
| C05 | C07 | sing | 1.48Å | 1.49Å | |
| C07 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C13 | sing | 1.48Å | 1.49Å | |
| C13 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.51Å | 1.50Å | |
| C01 | C20 | sing | 1.50Å | 1.52Å | |
| C20 | C21 | sing | 1.50Å | 1.52Å | |
| C19 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C33 | sing | 1.49Å | 1.46Å | |
| C24 | C34 | sing | 1.49Å | 1.52Å | |
| C34 | C35 | doub | 1.39Å | 1.41Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.42Å | Aromatic |
| C36 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.37Å | 1.40Å | Aromatic |
| C39 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C33 | C40 | doub | 1.40Å | 1.40Å | Aromatic |
| C40 | C41 | sing | 1.37Å | 1.39Å | Aromatic |
| C41 | C42 | doub | 1.39Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.39Å | 1.41Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C45 | sing | 1.49Å | 1.50Å | |
| C42 | C46 | sing | 1.49Å | 1.46Å | |
| C45 | C47 | doub | 1.40Å | 1.43Å | Aromatic |
| C47 | C48 | sing | 1.38Å | 1.41Å | Aromatic |
| C48 | C49 | doub | 1.39Å | 1.38Å | Aromatic |
| C49 | C50 | sing | 1.39Å | 1.39Å | Aromatic |
| C50 | C51 | doub | 1.39Å | 1.39Å | Aromatic |
| C51 | C45 | sing | 1.39Å | 1.40Å | Aromatic |
| C46 | C52 | doub | 1.39Å | 1.38Å | Aromatic |
| C52 | C53 | sing | 1.39Å | 1.39Å | Aromatic |
| C53 | C54 | doub | 1.39Å | 1.38Å | Aromatic |
| C54 | C55 | sing | 1.39Å | 1.39Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.40Å | Aromatic |
| C56 | C46 | sing | 1.39Å | 1.42Å | Aromatic |
| C48 | C57 | sing | 1.51Å | 1.52Å | |
| C55 | C57 | sing | 1.51Å | 1.51Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | 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 | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C53 | H531 | sing | 1.08Å | 1.08Å | |
| C56 | H561 | sing | 1.08Å | 1.08Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| O61 | H1 | sing | 0.97Å | 0.95Å | |
| O66 | H2 | sing | 0.97Å | 0.95Å | |
| O70 | H3 | sing | 0.97Å | 0.95Å | |
| O76 | H4 | sing | 0.97Å | 0.95Å | |
| O81 | H5 | sing | 0.97Å | 0.95Å | |
| O86 | H6 | sing | 0.97Å | 0.95Å | |
| O91 | H7 | sing | 0.97Å | 0.95Å | |
| O95 | H8 | sing | 0.97Å | 0.95Å | |
| OA1 | H9 | sing | 0.97Å | 0.95Å | |
| OA5 | H10 | sing | 0.97Å | 0.95Å | |
| OAF | H11 | sing | 0.97Å | 0.95Å | |
| OAA | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O60 | S59 | O61 | 106.4° | 106.4° |
| O60 | S59 | O62 | 114.4° | 123.1° |
| O60 | S59 | O58 | 107.8° | 106.4° |
| O61 | S59 | O62 | 117.3° | 106.4° |
| O61 | S59 | O58 | 108.1° | 107.2° |
| S59 | O61 | H1 | 109.5° | 114.0° |
| O62 | S59 | O58 | 102.4° | 106.4° |
| S59 | O58 | C25 | 126.3° | 114.0° |
| O58 | C25 | C24 | 121.6° | 120.2° |
| O58 | C25 | C26 | 115.1° | 120.2° |
| O65 | S64 | O66 | 110.1° | 106.4° |
| O65 | S64 | O67 | 112.4° | 123.1° |
| O65 | S64 | O63 | 110.2° | 106.4° |
| O66 | S64 | O67 | 114.6° | 106.4° |
| O66 | S64 | O63 | 106.4° | 107.2° |
| S64 | O66 | H2 | 109.5° | 114.0° |
| O67 | S64 | O63 | 102.6° | 106.4° |
| S64 | O63 | C27 | 127.2° | 114.0° |
| O63 | C27 | C26 | 117.7° | 120.2° |
| O63 | C27 | C21 | 120.4° | 120.3° |
| O70 | S69 | O71 | 107.4° | 106.4° |
| O70 | S69 | O72 | 115.3° | 106.4° |
| O70 | S69 | O68 | 108.4° | 107.2° |
| S69 | O70 | H3 | 109.5° | 114.0° |
| O71 | S69 | O72 | 119.4° | 123.2° |
| O71 | S69 | O68 | 107.1° | 106.4° |
| O72 | S69 | O68 | 98.1° | 106.4° |
| S69 | O68 | C30 | 127.9° | 114.0° |
| O68 | C30 | C29 | 116.3° | 120.0° |
| O68 | C30 | C31 | 120.1° | 120.1° |
| O75 | S74 | O76 | 108.9° | 106.4° |
| O75 | S74 | O77 | 117.3° | 123.2° |
| O75 | S74 | O73 | 104.4° | 106.4° |
| O76 | S74 | O77 | 111.9° | 106.4° |
| O76 | S74 | O73 | 111.1° | 107.2° |
| S74 | O76 | H4 | 109.5° | 114.0° |
| O77 | S74 | O73 | 102.9° | 106.4° |
| S74 | O73 | C28 | 126.8° | 114.0° |
| O73 | C28 | C22 | 120.2° | 120.1° |
| O73 | C28 | C29 | 117.7° | 120.2° |
| O80 | S79 | O81 | 107.8° | 106.4° |
| O80 | S79 | O82 | 117.7° | 123.2° |
| O80 | S79 | O78 | 104.7° | 106.4° |
| O81 | S79 | O82 | 112.0° | 106.4° |
| O81 | S79 | O78 | 110.9° | 107.2° |
| S79 | O81 | H5 | 109.5° | 114.1° |
| O82 | S79 | O78 | 103.4° | 106.4° |
| S79 | O78 | C04 | 128.7° | 114.0° |
| O78 | C04 | C03 | 115.2° | 120.0° |
| O78 | C04 | C05 | 121.7° | 120.0° |
| O85 | S84 | O86 | 108.8° | 106.4° |
| O85 | S84 | O87 | 118.2° | 123.2° |
| O85 | S84 | O83 | 103.9° | 106.4° |
| O86 | S84 | O87 | 110.3° | 106.4° |
| O86 | S84 | O83 | 110.1° | 107.2° |
| S84 | O86 | H6 | 109.5° | 114.0° |
| O87 | S84 | O83 | 105.1° | 106.4° |
| S84 | O83 | C14 | 125.5° | 114.0° |
| O83 | C14 | C13 | 121.4° | 120.1° |
| O83 | C14 | C15 | 115.3° | 120.0° |
| O90 | S89 | O91 | 106.4° | 106.4° |
| O90 | S89 | O92 | 113.1° | 123.1° |
| O90 | S89 | O88 | 108.3° | 106.4° |
| O91 | S89 | O92 | 117.5° | 106.4° |
| O91 | S89 | O88 | 109.2° | 107.3° |
| S89 | O91 | H7 | 109.5° | 114.1° |
| O92 | S89 | O88 | 102.0° | 106.4° |
| S89 | O88 | C02 | 128.7° | 114.0° |
| O88 | C02 | C01 | 122.5° | 120.1° |
| O88 | C02 | C03 | 116.6° | 120.1° |
| O95 | S94 | O96 | 108.6° | 106.5° |
| O95 | S94 | O97 | 112.4° | 106.4° |
| O95 | S94 | O93 | 112.0° | 107.3° |
| S94 | O95 | H8 | 109.5° | 114.0° |
| O96 | S94 | O97 | 115.7° | 123.1° |
| O96 | S94 | O93 | 104.7° | 106.4° |
| O97 | S94 | O93 | 103.1° | 106.4° |
| S94 | O93 | C16 | 127.2° | 114.0° |
| O93 | C16 | C15 | 117.4° | 120.0° |
| O93 | C16 | C17 | 121.4° | 120.0° |
| OA0 | S99 | OA1 | 108.3° | 106.4° |
| OA0 | S99 | OA2 | 115.4° | 123.2° |
| OA0 | S99 | O98 | 104.2° | 106.4° |
| OA1 | S99 | OA2 | 115.6° | 106.4° |
| OA1 | S99 | O98 | 109.2° | 107.2° |
| S99 | OA1 | H9 | 109.5° | 114.0° |
| OA2 | S99 | O98 | 103.3° | 106.4° |
| S99 | O98 | C52 | 127.6° | 114.0° |
| O98 | C52 | C46 | 119.1° | 120.2° |
| O98 | C52 | C53 | 116.1° | 120.2° |
| OA5 | SA4 | OA6 | 109.6° | 106.4° |
| OA5 | SA4 | OA7 | 111.5° | 106.4° |
| OA5 | SA4 | OA3 | 109.4° | 107.3° |
| SA4 | OA5 | H10 | 109.5° | 114.0° |
| OA6 | SA4 | OA7 | 115.9° | 123.2° |
| OA6 | SA4 | OA3 | 108.4° | 106.4° |
| OA7 | SA4 | OA3 | 101.6° | 106.4° |
| SA4 | OA3 | C54 | 123.6° | 114.0° |
| OA3 | C54 | C53 | 117.5° | 120.0° |
| OA3 | C54 | C55 | 120.0° | 120.0° |
| OAA | SA9 | OAB | 108.8° | 106.4° |
| OAA | SA9 | OAC | 112.7° | 106.4° |
| OAA | SA9 | OA8 | 110.2° | 107.2° |
| SA9 | OAA | H12 | 109.5° | 114.0° |
| OAB | SA9 | OAC | 115.3° | 123.1° |
| OAB | SA9 | OA8 | 106.5° | 106.4° |
| OAC | SA9 | OA8 | 103.0° | 106.4° |
| SA9 | OA8 | C49 | 122.6° | 114.0° |
| OA8 | C49 | C48 | 120.8° | 120.2° |
| OA8 | C49 | C50 | 117.1° | 120.2° |
| OAF | SAE | OAG | 107.3° | 106.4° |
| OAF | SAE | OAH | 116.8° | 106.4° |
| OAF | SAE | OAD | 107.2° | 107.2° |
| SAE | OAF | H11 | 109.5° | 114.0° |
| OAG | SAE | OAH | 112.3° | 123.1° |
| OAG | SAE | OAD | 109.3° | 106.4° |
| OAH | SAE | OAD | 103.6° | 106.4° |
| SAE | OAD | C51 | 125.0° | 114.0° |
| OAD | C51 | C50 | 114.8° | 120.2° |
| OAD | C51 | C45 | 121.6° | 120.2° |
| C01 | C02 | C03 | 120.9° | 119.7° |
| C02 | C01 | C06 | 115.4° | 120.6° |
| C02 | C01 | C20 | 124.1° | 118.9° |
| C02 | C03 | C04 | 120.5° | 120.3° |
| C02 | C03 | H031 | 119.8° | 119.9° |
| C03 | C04 | C05 | 123.0° | 120.0° |
| C04 | C03 | H031 | 119.8° | 119.9° |
| C04 | C05 | C06 | 112.7° | 119.7° |
| C04 | C05 | C07 | 126.3° | 120.8° |
| C05 | C06 | C01 | 127.4° | 119.7° |
| C06 | C05 | C07 | 121.0° | 119.4° |
| C05 | C06 | H061 | 116.3° | 120.1° |
| C06 | C01 | C20 | 120.4° | 120.5° |
| C01 | C06 | H061 | 116.3° | 120.2° |
| C05 | C07 | C08 | 124.0° | 120.7° |
| C05 | C07 | C12 | 124.6° | 119.0° |
| C07 | C08 | C09 | 123.8° | 119.9° |
| C08 | C07 | C12 | 111.4° | 120.3° |
| C07 | C08 | H081 | 118.1° | 120.0° |
| C08 | C09 | C10 | 124.5° | 119.9° |
| C09 | C08 | H081 | 118.1° | 120.0° |
| C08 | C09 | H091 | 117.8° | 120.0° |
| C09 | C10 | C11 | 111.6° | 119.9° |
| C09 | C10 | C13 | 124.6° | 120.1° |
| C10 | C09 | H091 | 117.8° | 120.1° |
| C10 | C11 | C12 | 124.0° | 120.2° |
| C11 | C10 | C13 | 123.8° | 119.9° |
| C10 | C11 | H111 | 118.0° | 119.9° |
| C11 | C12 | C07 | 124.7° | 119.8° |
| C12 | C11 | H111 | 118.0° | 119.9° |
| C11 | C12 | H121 | 117.6° | 120.0° |
| C07 | C12 | H121 | 117.6° | 120.2° |
| C10 | C13 | C14 | 126.4° | 120.7° |
| C10 | C13 | C18 | 121.6° | 119.3° |
| C13 | C14 | C15 | 123.2° | 119.9° |
| C14 | C13 | C18 | 112.0° | 120.0° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C14 | C15 | H151 | 119.8° | 120.0° |
| C15 | C16 | C17 | 121.2° | 120.1° |
| C16 | C15 | H151 | 119.8° | 120.0° |
| C16 | C17 | C18 | 115.1° | 120.1° |
| C16 | C17 | C19 | 126.5° | 119.2° |
| C17 | C18 | C13 | 128.1° | 119.9° |
| C18 | C17 | C19 | 118.3° | 120.7° |
| C17 | C18 | H181 | 115.9° | 120.0° |
| C13 | C18 | H181 | 116.0° | 120.1° |
| C17 | C19 | C22 | 111.5° | 112.4° |
| C17 | C19 | H192 | 109.0° | 108.9° |
| C17 | C19 | H191 | 109.0° | 108.9° |
| C01 | C20 | C21 | 115.0° | 111.9° |
| C01 | C20 | H202 | 108.1° | 109.0° |
| C01 | C20 | H201 | 108.1° | 109.0° |
| C20 | C21 | C23 | 123.4° | 119.4° |
| C20 | C21 | C27 | 121.9° | 119.8° |
| C21 | C20 | H202 | 108.1° | 108.9° |
| C21 | C20 | H201 | 108.1° | 109.0° |
| C19 | C22 | C28 | 121.9° | 119.6° |
| C19 | C22 | C32 | 123.4° | 120.0° |
| C22 | C19 | H192 | 109.0° | 108.9° |
| C22 | C19 | H191 | 108.9° | 108.9° |
| C21 | C23 | C24 | 127.8° | 119.7° |
| C23 | C21 | C27 | 114.7° | 120.8° |
| C21 | C23 | H231 | 116.1° | 120.1° |
| C23 | C24 | C25 | 112.4° | 120.0° |
| C23 | C24 | C34 | 122.1° | 118.7° |
| C24 | C23 | H231 | 116.1° | 120.2° |
| C24 | C25 | C26 | 123.3° | 119.6° |
| C25 | C24 | C34 | 125.5° | 121.4° |
| C25 | C26 | C27 | 120.0° | 120.6° |
| C25 | C26 | H261 | 120.0° | 119.7° |
| C26 | C27 | C21 | 121.9° | 119.4° |
| C27 | C26 | H261 | 120.0° | 119.7° |
| C22 | C28 | C29 | 122.1° | 119.8° |
| C28 | C22 | C32 | 114.6° | 120.4° |
| C28 | C29 | C30 | 119.1° | 120.3° |
| C28 | C29 | H291 | 120.4° | 119.8° |
| C29 | C30 | C31 | 123.5° | 119.9° |
| C30 | C29 | H291 | 120.5° | 119.9° |
| C30 | C31 | C32 | 113.4° | 119.8° |
| C30 | C31 | C33 | 123.3° | 121.1° |
| C31 | C32 | C22 | 127.2° | 119.9° |
| C32 | C31 | C33 | 123.3° | 119.1° |
| C31 | C32 | H321 | 116.4° | 120.1° |
| C22 | C32 | H321 | 116.4° | 120.0° |
| C31 | C33 | C40 | 123.8° | 117.3° |
| C31 | C33 | C44 | 124.2° | 122.6° |
| C24 | C34 | C35 | 123.5° | 122.8° |
| C24 | C34 | C39 | 125.3° | 117.1° |
| C34 | C35 | C36 | 124.0° | 119.3° |
| C35 | C34 | C39 | 111.2° | 120.1° |
| C34 | C35 | H351 | 117.9° | 120.4° |
| C35 | C36 | C37 | 123.9° | 120.4° |
| C36 | C35 | H351 | 118.0° | 120.4° |
| C35 | C36 | H361 | 118.0° | 119.8° |
| C36 | C37 | C38 | 111.8° | 120.0° |
| C36 | C37 | C45 | 124.1° | 122.9° |
| C37 | C36 | H361 | 118.1° | 119.8° |
| C37 | C38 | C39 | 124.3° | 119.4° |
| C38 | C37 | C45 | 124.1° | 117.0° |
| C37 | C38 | H381 | 117.9° | 120.2° |
| C38 | C39 | C34 | 124.9° | 120.7° |
| C39 | C38 | H381 | 117.9° | 120.4° |
| C38 | C39 | H391 | 117.6° | 119.8° |
| C34 | C39 | H391 | 117.6° | 119.5° |
| C33 | C40 | C41 | 124.7° | 120.2° |
| C40 | C33 | C44 | 111.9° | 120.1° |
| C33 | C40 | H401 | 117.7° | 119.9° |
| C40 | C41 | C42 | 123.6° | 119.9° |
| C41 | C40 | H401 | 117.7° | 119.9° |
| C40 | C41 | H411 | 118.2° | 120.0° |
| C41 | C42 | C43 | 111.7° | 120.0° |
| C41 | C42 | C46 | 122.7° | 118.4° |
| C42 | C41 | H411 | 118.2° | 120.1° |
| C42 | C43 | C44 | 124.8° | 120.1° |
| C43 | C42 | C46 | 125.5° | 121.5° |
| C42 | C43 | H431 | 117.6° | 120.0° |
| C43 | C44 | C33 | 123.2° | 119.7° |
| C44 | C43 | H431 | 117.6° | 120.0° |
| C43 | C44 | H441 | 118.4° | 120.1° |
| C33 | C44 | H441 | 118.4° | 120.2° |
| C37 | C45 | C47 | 119.4° | 118.4° |
| C37 | C45 | C51 | 128.3° | 121.5° |
| C42 | C46 | C52 | 122.6° | 121.1° |
| C42 | C46 | C56 | 124.2° | 118.7° |
| C45 | C47 | C48 | 127.2° | 119.9° |
| C47 | C45 | C51 | 112.2° | 120.0° |
| C45 | C47 | H471 | 116.4° | 120.1° |
| C47 | C48 | C49 | 114.9° | 120.3° |
| C47 | C48 | C57 | 121.4° | 119.6° |
| C48 | C47 | H471 | 116.3° | 120.0° |
| C48 | C49 | C50 | 122.0° | 119.6° |
| C49 | C48 | C57 | 123.7° | 120.1° |
| C49 | C50 | C51 | 120.0° | 120.5° |
| C49 | C50 | H501 | 120.0° | 119.8° |
| C50 | C51 | C45 | 123.6° | 119.6° |
| C51 | C50 | H501 | 120.0° | 119.7° |
| C46 | C52 | C53 | 124.8° | 119.6° |
| C52 | C46 | C56 | 113.1° | 120.2° |
| C52 | C53 | C54 | 118.1° | 120.2° |
| C52 | C53 | H531 | 121.0° | 119.9° |
| C53 | C54 | C55 | 122.5° | 120.0° |
| C54 | C53 | H531 | 120.9° | 120.0° |
| C54 | C55 | C56 | 115.6° | 120.1° |
| C54 | C55 | C57 | 122.4° | 120.3° |
| C55 | C56 | C46 | 125.8° | 119.9° |
| C56 | C55 | C57 | 121.9° | 119.6° |
| C55 | C56 | H561 | 117.1° | 120.1° |
| C46 | C56 | H561 | 117.1° | 120.1° |
| C48 | C57 | C55 | 114.0° | 113.7° |
| C48 | C57 | H571 | 108.3° | 108.6° |
| C48 | C57 | H572 | 108.3° | 108.6° |
| C55 | C57 | H571 | 108.3° | 108.6° |
| C55 | C57 | H572 | 108.3° | 108.6° |
| H202 | C20 | H201 | 109.4° | 108.9° |
| H192 | C19 | H191 | 109.5° | 108.7° |
| H571 | C57 | H572 | 109.4° | 108.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O60 | S59 | O61 | O62 | 129.5° | 132.9° |
| O60 | S59 | O61 | O58 | 115.5° | 113.6° |
| O60 | S59 | O62 | O58 | 116.3° | 122.9° |
| O60 | S59 | O58 | C25 | 142.5° | 38.6° |
| O60 | S59 | O61 | H1 | 0.0° | 66.5° |
| O61 | S59 | O62 | O58 | 118.1° | 114.1° |
| O61 | S59 | O58 | C25 | 27.9° | 75.0° |
| O62 | S59 | O58 | C25 | 96.5° | 171.5° |
| O62 | S59 | O61 | H1 | 129.5° | 66.4° |
| S59 | O58 | C25 | C24 | 91.5° | 89.9° |
| S59 | O58 | C25 | C26 | 88.0° | 90.0° |
| O58 | S59 | O61 | H1 | 115.5° | 180.0° |
| O58 | C25 | C24 | C23 | 179.8° | 179.3° |
| O58 | C25 | C24 | C26 | 179.4° | 179.9° |
| O58 | C25 | C26 | C27 | 179.9° | 179.3° |
| O58 | C25 | C24 | C34 | 0.8° | 2.3° |
| O58 | C25 | C26 | H261 | 0.1° | 0.7° |
| O65 | S64 | O66 | O67 | 128.0° | 132.9° |
| O65 | S64 | O66 | O63 | 119.4° | 113.5° |
| O65 | S64 | O67 | O63 | 118.3° | 122.9° |
| O65 | S64 | O63 | C27 | 174.1° | 51.2° |
| O65 | S64 | O66 | H2 | 0.0° | 71.4° |
| O66 | S64 | O67 | O63 | 114.9° | 114.1° |
| O66 | S64 | O63 | C27 | 54.7° | 62.4° |
| O67 | S64 | O63 | C27 | 66.0° | 175.9° |
| O67 | S64 | O66 | H2 | 128.0° | 61.5° |
| S64 | O63 | C27 | C26 | 74.4° | 0.1° |
| S64 | O63 | C27 | C21 | 104.8° | 179.9° |
| O63 | S64 | O66 | H2 | 119.4° | 175.1° |
| O63 | C27 | C21 | C20 | 0.4° | 1.3° |
| O63 | C27 | C21 | C23 | 179.5° | 179.0° |
| O63 | C27 | C26 | C25 | 179.8° | 179.2° |
| O63 | C27 | C26 | C21 | 179.2° | 180.0° |
| O63 | C27 | C26 | H261 | 0.2° | 0.9° |
| O70 | S69 | O71 | O72 | 133.7° | 122.9° |
| O70 | S69 | O71 | O68 | 116.2° | 114.1° |
| O70 | S69 | O72 | O68 | 114.8° | 114.1° |
| O70 | S69 | O68 | C30 | 147.7° | 75.0° |
| O71 | S69 | O72 | O68 | 114.9° | 123.0° |
| O71 | S69 | O68 | C30 | 32.1° | 171.5° |
| O71 | S69 | O70 | H3 | 0.0° | 66.5° |
| O72 | S69 | O68 | C30 | 92.1° | 38.6° |
| O72 | S69 | O70 | H3 | 135.8° | 66.4° |
| S69 | O68 | C30 | C29 | 60.8° | 90.0° |
| S69 | O68 | C30 | C31 | 120.6° | 89.9° |
| O68 | S69 | O70 | H3 | 115.4° | 179.9° |
| O68 | C30 | C29 | C28 | 179.8° | 179.7° |
| O68 | C30 | C29 | C31 | 178.5° | 180.0° |
| O68 | C30 | C31 | C32 | 179.7° | 179.5° |
| O68 | C30 | C31 | C33 | 2.4° | 1.7° |
| O68 | C30 | C29 | H291 | 0.2° | 0.3° |
| O75 | S74 | O76 | O77 | 131.3° | 133.0° |
| O75 | S74 | O76 | O73 | 114.4° | 113.5° |
| O75 | S74 | O77 | O73 | 113.9° | 123.0° |
| O75 | S74 | O73 | C28 | 36.8° | 41.5° |
| O75 | S74 | O76 | H4 | 0.0° | 71.5° |
| O76 | S74 | O77 | O73 | 119.3° | 114.1° |
| O76 | S74 | O73 | C28 | 80.3° | 72.0° |
| O77 | S74 | O73 | C28 | 159.8° | 174.5° |
| O77 | S74 | O76 | H4 | 131.3° | 61.5° |
| S74 | O73 | C28 | C22 | 85.7° | 136.3° |
| S74 | O73 | C28 | C29 | 92.1° | 43.7° |
| O73 | S74 | O76 | H4 | 114.3° | 175.0° |
| O73 | C28 | C22 | C19 | 3.1° | 0.6° |
| O73 | C28 | C22 | C29 | 177.8° | 179.9° |
| O73 | C28 | C29 | C30 | 179.8° | 179.6° |
| O73 | C28 | C22 | C32 | 179.7° | 179.8° |
| O73 | C28 | C29 | H291 | 0.2° | 0.5° |
| O80 | S79 | O81 | O82 | 131.0° | 132.9° |
| O80 | S79 | O81 | O78 | 114.1° | 113.5° |
| O80 | S79 | O82 | O78 | 114.8° | 122.9° |
| O80 | S79 | O78 | C04 | 139.4° | 40.2° |
| O80 | S79 | O81 | H5 | 0.0° | 66.5° |
| O81 | S79 | O82 | O78 | 119.4° | 114.1° |
| O81 | S79 | O78 | C04 | 104.5° | 73.3° |
| O82 | S79 | O78 | C04 | 15.6° | 173.1° |
| O82 | S79 | O81 | H5 | 131.0° | 66.5° |
| S79 | O78 | C04 | C03 | 101.7° | 90.4° |
| S79 | O78 | C04 | C05 | 78.2° | 89.5° |
| O78 | S79 | O81 | H5 | 114.1° | 180.0° |
| O78 | C04 | C03 | C02 | 179.6° | 179.6° |
| O78 | C04 | C03 | C05 | 179.9° | 179.9° |
| O78 | C04 | C05 | C06 | 180.0° | 179.6° |
| O78 | C04 | C05 | C07 | 0.7° | 2.5° |
| O78 | C04 | C03 | H031 | 0.4° | 0.5° |
| O85 | S84 | O86 | O87 | 131.2° | 133.0° |
| O85 | S84 | O86 | O83 | 113.2° | 113.5° |
| O85 | S84 | O87 | O83 | 115.3° | 122.9° |
| O85 | S84 | O83 | C14 | 176.7° | 40.7° |
| O85 | S84 | O86 | H6 | 0.0° | 66.5° |
| O86 | S84 | O87 | O83 | 118.6° | 114.1° |
| O86 | S84 | O83 | C14 | 66.9° | 72.8° |
| O87 | S84 | O83 | C14 | 51.9° | 173.7° |
| O87 | S84 | O86 | H6 | 131.2° | 66.5° |
| S84 | O83 | C14 | C13 | 91.9° | 95.7° |
| S84 | O83 | C14 | C15 | 85.4° | 84.2° |
| O83 | S84 | O86 | H6 | 113.2° | 180.0° |
| O83 | C14 | C13 | C10 | 2.0° | 1.1° |
| O83 | C14 | C13 | C15 | 177.1° | 179.9° |
| O83 | C14 | C15 | C16 | 178.0° | 179.1° |
| O83 | C14 | C13 | C18 | 178.3° | 179.5° |
| O83 | C14 | C15 | H151 | 2.0° | 1.0° |
| O90 | S89 | O91 | O92 | 127.8° | 132.9° |
| O90 | S89 | O91 | O88 | 116.8° | 113.6° |
| O90 | S89 | O92 | O88 | 116.1° | 122.9° |
| O90 | S89 | O88 | C02 | 70.8° | 46.5° |
| O90 | S89 | O91 | H7 | 0.0° | 61.5° |
| O91 | S89 | O92 | O88 | 119.3° | 114.1° |
| O91 | S89 | O88 | C02 | 44.8° | 67.1° |
| O92 | S89 | O88 | C02 | 169.7° | 179.3° |
| O92 | S89 | O91 | H7 | 127.8° | 71.4° |
| S89 | O88 | C02 | C01 | 122.6° | 92.4° |
| S89 | O88 | C02 | C03 | 57.0° | 87.6° |
| O88 | S89 | O91 | H7 | 116.8° | 175.0° |
| O88 | C02 | C01 | C03 | 179.6° | 180.0° |
| O88 | C02 | C03 | C04 | 179.5° | 179.6° |
| O88 | C02 | C01 | C06 | 179.5° | 178.7° |
| O88 | C02 | C01 | C20 | 0.5° | 0.1° |
| O88 | C02 | C03 | H031 | 0.5° | 0.3° |
| O95 | S94 | O96 | O97 | 127.5° | 122.9° |
| O95 | S94 | O96 | O93 | 119.8° | 114.2° |
| O95 | S94 | O97 | O93 | 120.8° | 114.1° |
| O95 | S94 | O93 | C16 | 68.5° | 73.7° |
| O96 | S94 | O97 | O93 | 113.7° | 122.9° |
| O96 | S94 | O93 | C16 | 49.0° | 172.6° |
| O96 | S94 | O95 | H8 | 0.0° | 71.4° |
| O97 | S94 | O93 | C16 | 170.4° | 39.8° |
| O97 | S94 | O95 | H8 | 129.3° | 61.6° |
| S94 | O93 | C16 | C15 | 84.1° | 84.2° |
| S94 | O93 | C16 | C17 | 93.4° | 95.9° |
| O93 | S94 | O95 | H8 | 115.2° | 175.1° |
| O93 | C16 | C15 | C14 | 178.6° | 179.4° |
| O93 | C16 | C15 | C17 | 177.5° | 179.9° |
| O93 | C16 | C17 | C18 | 179.6° | 179.8° |
| O93 | C16 | C17 | C19 | 2.8° | 0.2° |
| O93 | C16 | C15 | H151 | 1.4° | 0.7° |
| OA0 | S99 | OA1 | OA2 | 131.3° | 133.0° |
| OA0 | S99 | OA1 | O98 | 112.9° | 113.5° |
| OA0 | S99 | OA2 | O98 | 113.0° | 123.0° |
| OA0 | S99 | O98 | C52 | 47.2° | 38.5° |
| OA0 | S99 | OA1 | H9 | 0.0° | 66.5° |
| OA1 | S99 | OA2 | O98 | 119.2° | 114.1° |
| OA1 | S99 | O98 | C52 | 162.8° | 75.0° |
| OA2 | S99 | O98 | C52 | 73.8° | 171.5° |
| OA2 | S99 | OA1 | H9 | 131.2° | 66.5° |
| S99 | O98 | C52 | C46 | 119.2° | 96.6° |
| S99 | O98 | C52 | C53 | 59.9° | 83.4° |
| O98 | S99 | OA1 | H9 | 112.9° | 180.0° |
| O98 | C52 | C46 | C42 | 1.9° | 1.7° |
| O98 | C52 | C46 | C53 | 179.1° | 180.0° |
| O98 | C52 | C53 | C54 | 178.9° | 179.7° |
| O98 | C52 | C46 | C56 | 179.0° | 178.7° |
| O98 | C52 | C53 | H531 | 1.1° | 0.3° |
| OA5 | SA4 | OA6 | OA7 | 127.2° | 122.9° |
| OA5 | SA4 | OA6 | OA3 | 119.3° | 114.1° |
| OA5 | SA4 | OA7 | OA3 | 116.4° | 114.1° |
| OA5 | SA4 | OA3 | C54 | 48.3° | 66.5° |
| OA6 | SA4 | OA7 | OA3 | 117.3° | 122.9° |
| OA6 | SA4 | OA3 | C54 | 167.8° | 179.9° |
| OA6 | SA4 | OA5 | H10 | 0.0° | 61.5° |
| OA7 | SA4 | OA3 | C54 | 69.6° | 47.0° |
| OA7 | SA4 | OA5 | H10 | 129.6° | 71.4° |
| SA4 | OA3 | C54 | C53 | 88.6° | 45.6° |
| SA4 | OA3 | C54 | C55 | 89.4° | 134.4° |
| OA3 | SA4 | OA5 | H10 | 118.8° | 175.0° |
| OA3 | C54 | C53 | C52 | 179.7° | 178.7° |
| OA3 | C54 | C53 | C55 | 177.9° | 180.0° |
| OA3 | C54 | C55 | C56 | 179.5° | 179.4° |
| OA3 | C54 | C55 | C57 | 1.9° | 1.5° |
| OA3 | C54 | C53 | H531 | 0.3° | 1.2° |
| OAA | SA9 | OAB | OAC | 127.7° | 123.0° |
| OAA | SA9 | OAB | OA8 | 118.8° | 114.1° |
| OAA | SA9 | OAC | OA8 | 118.7° | 114.1° |
| OAA | SA9 | OA8 | C49 | 173.1° | 70.8° |
| OAB | SA9 | OAC | OA8 | 115.5° | 122.9° |
| OAB | SA9 | OA8 | C49 | 69.0° | 175.7° |
| OAB | SA9 | OAA | H12 | 0.0° | 61.5° |
| OAC | SA9 | OA8 | C49 | 52.7° | 42.8° |
| OAC | SA9 | OAA | H12 | 129.2° | 71.4° |
| SA9 | OA8 | C49 | C48 | 86.9° | 95.0° |
| SA9 | OA8 | C49 | C50 | 88.4° | 85.0° |
| OA8 | SA9 | OAA | H12 | 116.4° | 175.0° |
| OA8 | C49 | C48 | C47 | 177.4° | 179.8° |
| OA8 | C49 | C48 | C50 | 175.1° | 180.0° |
| OA8 | C49 | C50 | C51 | 177.4° | 179.1° |
| OA8 | C49 | C48 | C57 | 4.3° | 0.6° |
| OA8 | C49 | C50 | H501 | 2.6° | 1.0° |
| OAF | SAE | OAG | OAH | 129.7° | 122.9° |
| OAF | SAE | OAG | OAD | 116.0° | 114.1° |
| OAF | SAE | OAH | OAD | 117.6° | 114.1° |
| OAF | SAE | OAD | C51 | 160.5° | 73.2° |
| OAG | SAE | OAH | OAD | 117.8° | 123.0° |
| OAG | SAE | OAD | C51 | 44.5° | 173.3° |
| OAG | SAE | OAF | H11 | 0.0° | 66.5° |
| OAH | SAE | OAD | C51 | 75.3° | 40.3° |
| OAH | SAE | OAF | H11 | 127.0° | 66.4° |
| SAE | OAD | C51 | C50 | 65.4° | 83.8° |
| SAE | OAD | C51 | C45 | 112.5° | 96.2° |
| OAD | SAE | OAF | H11 | 117.4° | 180.0° |
| OAD | C51 | C45 | C37 | 2.6° | 0.7° |
| OAD | C51 | C45 | C47 | 179.3° | 178.5° |
| OAD | C51 | C50 | C49 | 177.9° | 179.9° |
| OAD | C51 | C50 | C45 | 177.9° | 180.0° |
| OAD | C51 | C50 | H501 | 2.1° | 0.1° |
| C01 | C02 | C03 | C04 | 0.8° | 0.4° |
| C02 | C01 | C06 | C05 | 0.5° | 1.3° |
| C02 | C01 | C06 | C20 | 179.1° | 178.8° |
| C02 | C01 | C20 | C21 | 73.0° | 72.9° |
| C02 | C01 | C20 | H202 | 166.2° | 166.5° |
| C02 | C01 | C20 | H201 | 47.9° | 47.7° |
| C01 | C02 | C03 | H031 | 179.2° | 179.7° |
| C02 | C01 | C06 | H061 | 179.5° | 178.6° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.4° | 0.5° |
| C03 | C02 | C01 | C06 | 0.8° | 1.3° |
| C03 | C02 | C01 | C20 | 179.9° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.5° |
| C03 | C04 | C05 | C07 | 179.2° | 177.6° |
| C04 | C05 | C06 | C07 | 179.3° | 177.2° |
| C04 | C05 | C06 | C01 | 0.1° | 0.4° |
| C04 | C05 | C07 | C08 | 34.3° | 24.1° |
| C04 | C05 | C07 | C12 | 145.4° | 155.2° |
| C05 | C04 | C03 | H031 | 179.6° | 179.4° |
| C04 | C05 | C06 | H061 | 179.9° | 179.5° |
| C05 | C06 | C01 | H061 | 180.0° | 179.9° |
| C06 | C05 | C07 | C08 | 146.4° | 153.0° |
| C06 | C05 | C07 | C12 | 33.8° | 27.7° |
| C05 | C06 | C01 | C20 | 179.5° | 179.9° |
| C01 | C06 | C05 | C07 | 179.2° | 176.8° |
| C06 | C01 | C20 | C21 | 106.0° | 108.3° |
| C06 | C01 | C20 | H202 | 14.8° | 12.3° |
| C06 | C01 | C20 | H201 | 133.2° | 131.1° |
| C05 | C07 | C08 | C12 | 179.8° | 179.3° |
| C05 | C07 | C08 | C09 | 179.7° | 178.9° |
| C05 | C07 | C12 | C11 | 179.8° | 178.8° |
| C07 | C05 | C06 | H061 | 0.8° | 3.3° |
| C05 | C07 | C08 | H081 | 0.3° | 1.1° |
| C05 | C07 | C12 | H121 | 0.2° | 1.2° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.1° | 0.2° |
| C08 | C07 | C12 | C11 | 0.0° | 1.9° |
| C07 | C08 | C09 | H091 | 179.9° | 179.9° |
| C08 | C07 | C12 | H121 | 180.0° | 178.1° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.1° | 2.0° |
| C09 | C08 | C07 | C12 | 0.1° | 1.8° |
| C08 | C09 | C10 | C13 | 179.9° | 176.1° |
| C09 | C10 | C11 | C13 | 179.9° | 178.1° |
| C09 | C10 | C11 | C12 | 0.0° | 1.9° |
| C09 | C10 | C13 | C14 | 141.3° | 28.0° |
| C09 | C10 | C13 | C18 | 39.0° | 150.5° |
| C10 | C09 | C08 | H081 | 179.9° | 179.8° |
| C09 | C10 | C11 | H111 | 180.0° | 178.2° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C07 | 0.0° | 0.0° |
| C11 | C10 | C13 | C14 | 38.5° | 153.9° |
| C11 | C10 | C13 | C18 | 141.1° | 27.6° |
| C11 | C10 | C09 | H091 | 179.9° | 178.1° |
| C10 | C11 | C12 | H121 | 180.0° | 180.0° |
| C11 | C12 | C07 | H121 | 180.0° | 180.0° |
| C12 | C11 | C10 | C13 | 179.9° | 176.2° |
| C12 | C07 | C08 | H081 | 179.9° | 178.2° |
| C07 | C12 | C11 | H111 | 180.0° | 179.9° |
| C10 | C13 | C14 | C18 | 179.7° | 178.4° |
| C10 | C13 | C14 | C15 | 179.1° | 179.0° |
| C10 | C13 | C18 | C17 | 179.7° | 178.2° |
| C10 | C13 | C18 | H181 | 0.3° | 1.8° |
| C13 | C10 | C09 | H091 | 0.1° | 3.8° |
| C13 | C10 | C11 | H111 | 0.1° | 3.7° |
| C13 | C14 | C15 | C16 | 0.7° | 1.0° |
| C14 | C13 | C18 | C17 | 0.0° | 0.2° |
| C13 | C14 | C15 | H151 | 179.3° | 179.0° |
| C14 | C13 | C18 | H181 | 180.0° | 179.8° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.1° | 0.6° |
| C15 | C14 | C13 | C18 | 1.2° | 0.6° |
| C15 | C16 | C17 | C18 | 2.1° | 0.3° |
| C15 | C16 | C17 | C19 | 179.7° | 179.9° |
| C16 | C17 | C18 | C19 | 177.8° | 179.6° |
| C16 | C17 | C18 | C13 | 1.7° | 0.7° |
| C16 | C17 | C19 | C22 | 155.5° | 76.7° |
| C17 | C16 | C15 | H151 | 178.9° | 179.4° |
| C16 | C17 | C18 | H181 | 178.4° | 179.4° |
| C16 | C17 | C19 | H192 | 35.2° | 162.5° |
| C16 | C17 | C19 | H191 | 84.2° | 44.0° |
| C17 | C18 | C13 | H181 | 180.0° | 180.0° |
| C18 | C17 | C19 | C22 | 22.0° | 103.6° |
| C18 | C17 | C19 | H192 | 142.3° | 17.2° |
| C18 | C17 | C19 | H191 | 98.2° | 135.6° |
| C13 | C18 | C17 | C19 | 179.5° | 179.7° |
| C17 | C19 | C22 | H192 | 120.3° | 120.8° |
| C17 | C19 | C22 | H191 | 120.3° | 120.8° |
| C17 | C19 | C22 | C28 | 75.2° | 69.6° |
| C17 | C19 | C22 | C32 | 101.1° | 111.2° |
| C19 | C17 | C18 | H181 | 0.5° | 0.3° |
| C17 | C19 | H192 | H191 | 119.1° | 118.6° |
| C01 | C20 | C21 | H202 | 120.8° | 120.6° |
| C01 | C20 | C21 | H201 | 120.8° | 120.6° |
| C01 | C20 | C21 | C23 | 13.0° | 111.5° |
| C01 | C20 | C21 | C27 | 166.8° | 70.8° |
| C01 | C20 | H202 | H201 | 117.5° | 118.8° |
| C20 | C01 | C06 | H061 | 0.5° | 0.2° |
| C20 | C21 | C23 | C27 | 179.9° | 177.7° |
| C20 | C21 | C23 | C24 | 179.8° | 178.7° |
| C20 | C21 | C27 | C26 | 179.5° | 178.6° |
| C21 | C20 | H202 | H201 | 117.5° | 118.8° |
| C20 | C21 | C23 | H231 | 0.1° | 1.3° |
| C19 | C22 | C28 | C32 | 176.6° | 179.2° |
| C19 | C22 | C28 | C29 | 179.1° | 179.5° |
| C19 | C22 | C32 | C31 | 179.2° | 179.7° |
| C22 | C19 | H192 | H191 | 119.0° | 118.5° |
| C19 | C22 | C32 | H321 | 0.8° | 0.2° |
| C21 | C23 | C24 | H231 | 180.0° | 180.0° |
| C21 | C23 | C24 | C25 | 0.0° | 0.8° |
| C23 | C21 | C27 | C26 | 0.3° | 0.9° |
| C21 | C23 | C24 | C34 | 179.5° | 177.6° |
| C23 | C21 | C20 | H202 | 107.8° | 9.1° |
| C23 | C21 | C20 | H201 | 133.8° | 127.9° |
| C23 | C24 | C25 | C34 | 179.5° | 178.4° |
| C23 | C24 | C25 | C26 | 0.3° | 0.6° |
| C24 | C23 | C21 | C27 | 0.0° | 1.0° |
| C23 | C24 | C34 | C35 | 25.2° | 179.5° |
| C23 | C24 | C34 | C39 | 155.7° | 0.4° |
| C24 | C25 | C26 | C27 | 0.6° | 0.6° |
| C25 | C24 | C34 | C35 | 154.2° | 1.1° |
| C25 | C24 | C34 | C39 | 24.8° | 178.8° |
| C25 | C24 | C23 | H231 | 180.0° | 179.2° |
| C24 | C25 | C26 | H261 | 179.4° | 179.4° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | C21 | 0.6° | 0.7° |
| C26 | C25 | C24 | C34 | 179.8° | 177.7° |
| C27 | C21 | C20 | H202 | 72.4° | 168.6° |
| C27 | C21 | C20 | H201 | 46.0° | 49.9° |
| C27 | C21 | C23 | H231 | 180.0° | 179.0° |
| C21 | C27 | C26 | H261 | 179.4° | 179.2° |
| C22 | C28 | C29 | C30 | 1.9° | 0.4° |
| C28 | C22 | C32 | C31 | 2.6° | 1.1° |
| C28 | C22 | C19 | H192 | 45.1° | 169.6° |
| C28 | C22 | C19 | H191 | 164.5° | 51.2° |
| C22 | C28 | C29 | H291 | 178.0° | 179.6° |
| C28 | C22 | C32 | H321 | 177.4° | 178.9° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 1.3° | 0.3° |
| C29 | C28 | C22 | C32 | 2.5° | 0.3° |
| C29 | C30 | C31 | C32 | 1.3° | 0.6° |
| C29 | C30 | C31 | C33 | 179.1° | 178.3° |
| C30 | C31 | C32 | C33 | 177.9° | 178.9° |
| C30 | C31 | C32 | C22 | 2.0° | 1.2° |
| C30 | C31 | C33 | C40 | 44.7° | 178.4° |
| C30 | C31 | C33 | C44 | 137.6° | 1.5° |
| C31 | C30 | C29 | H291 | 178.7° | 179.7° |
| C30 | C31 | C32 | H321 | 178.0° | 178.8° |
| C31 | C32 | C22 | H321 | 180.0° | 179.9° |
| C32 | C31 | C33 | C40 | 133.0° | 0.4° |
| C32 | C31 | C33 | C44 | 44.7° | 179.6° |
| C22 | C32 | C31 | C33 | 179.9° | 177.6° |
| C32 | C22 | C19 | H192 | 138.6° | 9.5° |
| C32 | C22 | C19 | H191 | 19.2° | 128.0° |
| C31 | C33 | C40 | C44 | 178.0° | 180.0° |
| C31 | C33 | C40 | C41 | 178.7° | 178.3° |
| C31 | C33 | C44 | C43 | 179.1° | 178.4° |
| C33 | C31 | C32 | H321 | 0.1° | 2.3° |
| C31 | C33 | C40 | H401 | 1.3° | 1.8° |
| C31 | C33 | C44 | H441 | 0.9° | 1.6° |
| C24 | C34 | C35 | C39 | 179.2° | 179.9° |
| C24 | C34 | C35 | C36 | 179.9° | 178.8° |
| C24 | C34 | C39 | C38 | 179.5° | 179.2° |
| C34 | C24 | C23 | H231 | 0.5° | 2.4° |
| C24 | C34 | C35 | H351 | 0.1° | 1.2° |
| C24 | C34 | C39 | H391 | 0.6° | 1.7° |
| C34 | C35 | C36 | H351 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.9° | 0.7° |
| C35 | C34 | C39 | C38 | 0.3° | 0.7° |
| C34 | C35 | C36 | H361 | 179.1° | 179.0° |
| C35 | C34 | C39 | H391 | 179.7° | 178.4° |
| C35 | C36 | C37 | H361 | 180.0° | 179.7° |
| C35 | C36 | C37 | C38 | 0.4° | 2.8° |
| C36 | C35 | C34 | C39 | 0.8° | 1.1° |
| C35 | C36 | C37 | C45 | 179.9° | 175.3° |
| C36 | C37 | C38 | C45 | 179.5° | 178.3° |
| C36 | C37 | C38 | C39 | 0.0° | 3.2° |
| C36 | C37 | C45 | C47 | 82.9° | 173.3° |
| C36 | C37 | C45 | C51 | 99.2° | 7.5° |
| C37 | C36 | C35 | H351 | 179.1° | 179.4° |
| C36 | C37 | C38 | H381 | 180.0° | 177.4° |
| C37 | C38 | C39 | H381 | 180.0° | 179.4° |
| C37 | C38 | C39 | C34 | 0.0° | 1.4° |
| C38 | C37 | C45 | C47 | 97.8° | 4.9° |
| C38 | C37 | C45 | C51 | 80.2° | 174.3° |
| C38 | C37 | C36 | H361 | 179.6° | 176.9° |
| C37 | C38 | C39 | H391 | 179.9° | 179.5° |
| C38 | C39 | C34 | H391 | 180.0° | 179.2° |
| C39 | C38 | C37 | C45 | 179.5° | 175.1° |
| C39 | C34 | C35 | H351 | 179.2° | 178.9° |
| C34 | C39 | C38 | H381 | 180.0° | 179.2° |
| C33 | C40 | C41 | H401 | 180.0° | 179.9° |
| C33 | C40 | C41 | C42 | 0.4° | 0.2° |
| C40 | C33 | C44 | C43 | 1.1° | 1.6° |
| C33 | C40 | C41 | H411 | 179.6° | 179.9° |
| C40 | C33 | C44 | H441 | 178.8° | 178.4° |
| C40 | C41 | C42 | H411 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 1.1° | 2.1° |
| C41 | C40 | C33 | C44 | 0.7° | 1.7° |
| C40 | C41 | C42 | C46 | 178.5° | 175.2° |
| C41 | C42 | C43 | C46 | 177.3° | 177.2° |
| C41 | C42 | C43 | C44 | 0.7° | 2.2° |
| C41 | C42 | C46 | C52 | 135.8° | 176.1° |
| C41 | C42 | C46 | C56 | 41.0° | 4.2° |
| C42 | C41 | C40 | H401 | 179.5° | 179.9° |
| C41 | C42 | C43 | H431 | 179.4° | 177.7° |
| C42 | C43 | C44 | H431 | 180.0° | 179.9° |
| C42 | C43 | C44 | C33 | 0.5° | 0.4° |
| C43 | C42 | C46 | C52 | 41.3° | 6.6° |
| C43 | C42 | C46 | C56 | 142.0° | 173.1° |
| C43 | C42 | C41 | H411 | 178.9° | 177.9° |
| C42 | C43 | C44 | H441 | 179.5° | 179.6° |
| C43 | C44 | C33 | H441 | 180.0° | 180.0° |
| C44 | C43 | C42 | C46 | 178.0° | 175.0° |
| C44 | C33 | C40 | H401 | 179.3° | 178.2° |
| C33 | C44 | C43 | H431 | 179.5° | 179.5° |
| C37 | C45 | C47 | C51 | 178.3° | 179.2° |
| C37 | C45 | C47 | C48 | 179.5° | 178.6° |
| C37 | C45 | C51 | C50 | 179.7° | 179.3° |
| C45 | C37 | C36 | H361 | 0.1° | 5.0° |
| C45 | C37 | C38 | H381 | 0.5° | 4.3° |
| C37 | C45 | C47 | H471 | 0.5° | 1.5° |
| C42 | C46 | C52 | C56 | 177.1° | 179.6° |
| C42 | C46 | C52 | C53 | 179.1° | 178.3° |
| C42 | C46 | C56 | C55 | 178.9° | 177.6° |
| C46 | C42 | C41 | H411 | 1.5° | 4.8° |
| C46 | C42 | C43 | H431 | 2.0° | 5.1° |
| C42 | C46 | C56 | H561 | 1.1° | 2.3° |
| C45 | C47 | C48 | H471 | 180.0° | 180.0° |
| C45 | C47 | C48 | C49 | 0.7° | 1.4° |
| C47 | C45 | C51 | C50 | 1.5° | 1.5° |
| C45 | C47 | C48 | C57 | 179.0° | 179.0° |
| C47 | C48 | C49 | C57 | 178.3° | 179.6° |
| C47 | C48 | C49 | C50 | 2.4° | 0.2° |
| C48 | C47 | C45 | C51 | 1.2° | 2.2° |
| C47 | C48 | C57 | C55 | 40.3° | 108.8° |
| C47 | C48 | C57 | H571 | 80.3° | 130.1° |
| C47 | C48 | C57 | H572 | 161.1° | 12.3° |
| C48 | C49 | C50 | C51 | 2.1° | 0.9° |
| C49 | C48 | C57 | C55 | 137.9° | 71.6° |
| C49 | C48 | C47 | H471 | 179.3° | 178.6° |
| C48 | C49 | C50 | H501 | 177.8° | 179.1° |
| C49 | C48 | C57 | H571 | 101.5° | 49.5° |
| C49 | C48 | C57 | H572 | 17.2° | 167.3° |
| C49 | C50 | C51 | H501 | 180.0° | 180.0° |
| C49 | C50 | C51 | C45 | 0.0° | 0.1° |
| C50 | C49 | C48 | C57 | 179.3° | 179.4° |
| C51 | C45 | C47 | H471 | 178.8° | 177.7° |
| C45 | C51 | C50 | H501 | 180.0° | 179.9° |
| C46 | C52 | C53 | C54 | 2.0° | 0.3° |
| C52 | C46 | C56 | C55 | 1.8° | 2.0° |
| C46 | C52 | C53 | H531 | 177.9° | 179.7° |
| C52 | C46 | C56 | H561 | 178.1° | 178.0° |
| C52 | C53 | C54 | H531 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 1.8° | 1.3° |
| C53 | C52 | C46 | C56 | 2.0° | 1.3° |
| C53 | C54 | C55 | C56 | 1.6° | 0.6° |
| C53 | C54 | C55 | C57 | 179.8° | 178.5° |
| C54 | C55 | C56 | C57 | 178.7° | 179.1° |
| C54 | C55 | C56 | C46 | 1.7° | 1.1° |
| C54 | C55 | C57 | C48 | 127.6° | 68.1° |
| C55 | C54 | C53 | H531 | 178.2° | 178.8° |
| C54 | C55 | C56 | H561 | 178.3° | 178.9° |
| C54 | C55 | C57 | H571 | 6.9° | 53.0° |
| C54 | C55 | C57 | H572 | 111.7° | 170.8° |
| C55 | C56 | C46 | H561 | 180.0° | 180.0° |
| C56 | C55 | C57 | C48 | 51.0° | 112.8° |
| C56 | C55 | C57 | H571 | 171.7° | 126.1° |
| C56 | C55 | C57 | H572 | 69.7° | 8.3° |
| C46 | C56 | C55 | C57 | 179.6° | 179.9° |
| C48 | C57 | C55 | H571 | 120.7° | 121.1° |
| C48 | C57 | C55 | H572 | 120.7° | 121.1° |
| C57 | C48 | C47 | H471 | 1.0° | 1.0° |
| C48 | C57 | H571 | H572 | 117.9° | 117.9° |
| C57 | C55 | C56 | H561 | 0.4° | 0.1° |
| C55 | C57 | H571 | H572 | 117.9° | 117.9° |
| H081 | C08 | C09 | H091 | 0.1° | 0.1° |
| H111 | C11 | C12 | H121 | 0.0° | 0.1° |
| H351 | C35 | C36 | H361 | 0.9° | 0.9° |
| H381 | C38 | C39 | H391 | 0.1° | 0.1° |
| H401 | C40 | C41 | H411 | 0.4° | 0.1° |
| H431 | C43 | C44 | H441 | 0.5° | 0.5° |
