K2Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | PAY | doub | 1.48Å | 1.47Å | |
| OAL | PAZ | doub | 1.48Å | 1.62Å | |
| PAY | OAJ | sing | 1.61Å | 1.61Å | |
| PAY | OAI | sing | 1.61Å | 1.61Å | |
| PAY | OAQ | sing | 1.61Å | 1.64Å | |
| PAZ | OAD | sing | 1.61Å | 1.48Å | |
| PAZ | OAR | sing | 1.61Å | 1.61Å | |
| PAZ | OAK | sing | 1.61Å | 1.62Å | |
| OAQ | CAU | sing | 1.36Å | 1.38Å | |
| CAN | CAU | doub | 1.39Å | 1.41Å | Aromatic |
| CAN | CAV | sing | 1.39Å | 1.41Å | Aromatic |
| OAR | CAV | sing | 1.36Å | 1.35Å | |
| CAU | CAS | sing | 1.39Å | 1.42Å | Aromatic |
| CAV | CAT | doub | 1.39Å | 1.42Å | Aromatic |
| CAS | OAO | sing | 1.36Å | 1.37Å | |
| CAS | CAM | doub | 1.39Å | 1.41Å | Aromatic |
| CAT | CAM | sing | 1.39Å | 1.42Å | Aromatic |
| CAT | OAP | sing | 1.36Å | 1.39Å | |
| OAO | PAW | sing | 1.61Å | 1.62Å | |
| OAP | PAX | sing | 1.61Å | 1.63Å | |
| OAH | PAX | doub | 1.48Å | 1.62Å | |
| OAF | PAW | doub | 1.48Å | 1.62Å | |
| PAW | OAA | sing | 1.61Å | 1.48Å | |
| PAW | OAE | sing | 1.61Å | 1.60Å | |
| PAX | OAG | sing | 1.61Å | 1.61Å | |
| PAX | OAB | sing | 1.61Å | 1.48Å | |
| OAE | H1 | sing | 0.97Å | 0.95Å | |
| OAA | H2 | sing | 0.97Å | 0.95Å | |
| CAM | H3 | sing | 1.08Å | 1.08Å | |
| OAG | H4 | sing | 0.97Å | 0.95Å | |
| OAB | H5 | sing | 0.97Å | 0.95Å | |
| OAK | H6 | sing | 0.97Å | 0.95Å | |
| OAD | H7 | sing | 0.97Å | 0.95Å | |
| CAN | H8 | sing | 1.08Å | 1.08Å | |
| OAI | H9 | sing | 0.97Å | 0.95Å | |
| OAJ | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | PAY | OAJ | 110.0° | 109.5° |
| OAC | PAY | OAI | 110.5° | 109.5° |
| OAC | PAY | OAQ | 113.3° | 109.5° |
| OAL | PAZ | OAD | 112.1° | 109.5° |
| OAL | PAZ | OAR | 104.9° | 109.4° |
| OAL | PAZ | OAK | 107.6° | 109.4° |
| OAJ | PAY | OAI | 109.2° | 109.5° |
| OAJ | PAY | OAQ | 102.7° | 109.5° |
| PAY | OAJ | H10 | 109.5° | 114.0° |
| OAI | PAY | OAQ | 110.9° | 109.5° |
| PAY | OAI | H9 | 109.5° | 114.0° |
| PAY | OAQ | CAU | 117.7° | 114.0° |
| OAD | PAZ | OAR | 110.9° | 109.5° |
| OAD | PAZ | OAK | 111.1° | 109.5° |
| PAZ | OAD | H7 | 109.5° | 114.0° |
| OAR | PAZ | OAK | 109.9° | 109.5° |
| PAZ | OAR | CAV | 114.1° | 114.0° |
| PAZ | OAK | H6 | 109.5° | 114.0° |
| OAQ | CAU | CAN | 120.9° | 120.0° |
| OAQ | CAU | CAS | 119.6° | 120.0° |
| CAU | CAN | CAV | 120.1° | 120.0° |
| CAN | CAU | CAS | 119.4° | 120.0° |
| CAU | CAN | H8 | 119.9° | 120.0° |
| CAN | CAV | OAR | 118.3° | 120.0° |
| CAN | CAV | CAT | 121.1° | 120.0° |
| CAV | CAN | H8 | 119.9° | 120.0° |
| OAR | CAV | CAT | 120.4° | 120.0° |
| CAU | CAS | OAO | 117.3° | 119.9° |
| CAU | CAS | CAM | 120.2° | 120.0° |
| CAV | CAT | CAM | 118.7° | 120.0° |
| CAV | CAT | OAP | 120.2° | 120.0° |
| OAO | CAS | CAM | 122.2° | 120.0° |
| CAS | OAO | PAW | 121.5° | 114.0° |
| CAS | CAM | CAT | 120.3° | 120.0° |
| CAS | CAM | H3 | 119.8° | 120.0° |
| CAM | CAT | OAP | 121.0° | 120.0° |
| CAT | CAM | H3 | 119.8° | 120.0° |
| CAT | OAP | PAX | 122.2° | 114.0° |
| OAO | PAW | OAF | 107.4° | 109.5° |
| OAO | PAW | OAA | 113.0° | 109.4° |
| OAO | PAW | OAE | 107.0° | 109.4° |
| OAP | PAX | OAH | 108.6° | 109.5° |
| OAP | PAX | OAG | 106.6° | 109.5° |
| OAP | PAX | OAB | 111.0° | 109.5° |
| OAH | PAX | OAG | 108.5° | 109.5° |
| OAH | PAX | OAB | 110.8° | 109.5° |
| OAF | PAW | OAA | 111.8° | 109.5° |
| OAF | PAW | OAE | 104.8° | 109.5° |
| OAA | PAW | OAE | 112.4° | 109.4° |
| PAW | OAA | H2 | 109.5° | 114.0° |
| PAW | OAE | H1 | 109.5° | 114.0° |
| OAG | PAX | OAB | 111.2° | 109.4° |
| PAX | OAG | H4 | 109.5° | 114.1° |
| PAX | OAB | H5 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | PAY | OAJ | OAI | 121.4° | 120.0° |
| OAC | PAY | OAJ | OAQ | 120.8° | 120.0° |
| OAC | PAY | OAI | OAQ | 126.5° | 120.0° |
| OAC | PAY | OAQ | CAU | 97.7° | 55.0° |
| OAC | PAY | OAI | H9 | 0.0° | 180.0° |
| OAC | PAY | OAJ | H10 | 0.0° | 60.0° |
| OAL | PAZ | OAD | OAR | 117.0° | 120.0° |
| OAL | PAZ | OAD | OAK | 120.4° | 119.9° |
| OAL | PAZ | OAR | OAK | 115.4° | 119.9° |
| OAL | PAZ | OAR | CAV | 103.8° | 55.0° |
| OAL | PAZ | OAK | H6 | 0.0° | 179.9° |
| OAL | PAZ | OAD | H7 | 0.0° | 60.0° |
| OAJ | PAY | OAI | OAQ | 112.4° | 120.0° |
| OAJ | PAY | OAQ | CAU | 143.8° | 175.0° |
| OAJ | PAY | OAI | H9 | 121.1° | 60.0° |
| OAI | PAY | OAQ | CAU | 27.2° | 65.0° |
| OAI | PAY | OAJ | H10 | 121.5° | 60.0° |
| PAY | OAQ | CAU | CAN | 56.9° | 75.0° |
| PAY | OAQ | CAU | CAS | 126.7° | 105.5° |
| OAQ | PAY | OAI | H9 | 126.4° | 60.0° |
| OAQ | PAY | OAJ | H10 | 120.8° | 180.0° |
| OAD | PAZ | OAR | OAK | 123.3° | 120.1° |
| OAD | PAZ | OAR | CAV | 134.9° | 175.0° |
| OAD | PAZ | OAK | H6 | 123.1° | 60.1° |
| PAZ | OAR | CAV | CAN | 81.5° | 75.0° |
| PAZ | OAR | CAV | CAT | 94.3° | 105.0° |
| OAR | PAZ | OAK | H6 | 113.8° | 60.0° |
| OAR | PAZ | OAD | H7 | 117.0° | 180.0° |
| OAK | PAZ | OAR | CAV | 11.7° | 64.9° |
| OAK | PAZ | OAD | H7 | 120.4° | 59.9° |
| OAQ | CAU | CAN | CAS | 176.4° | 179.5° |
| OAQ | CAU | CAN | CAV | 178.2° | 180.0° |
| OAQ | CAU | CAS | OAO | 5.0° | 0.3° |
| OAQ | CAU | CAS | CAM | 178.9° | 180.0° |
| OAQ | CAU | CAN | H8 | 1.7° | 0.5° |
| CAU | CAN | CAV | H8 | 180.0° | 179.6° |
| CAU | CAN | CAV | OAR | 176.2° | 179.7° |
| CAU | CAN | CAV | CAT | 0.4° | 0.2° |
| CAN | CAU | CAS | OAO | 178.6° | 179.7° |
| CAN | CAU | CAS | CAM | 4.7° | 0.5° |
| CAN | CAV | OAR | CAT | 175.8° | 180.0° |
| CAV | CAN | CAU | CAS | 1.9° | 0.5° |
| CAN | CAV | CAT | CAM | 0.0° | 0.0° |
| CAN | CAV | CAT | OAP | 175.9° | 180.0° |
| OAR | CAV | CAT | CAM | 175.7° | 179.9° |
| OAR | CAV | CAT | OAP | 0.1° | 0.0° |
| OAR | CAV | CAN | H8 | 3.8° | 0.2° |
| CAU | CAS | OAO | CAM | 173.8° | 179.7° |
| CAU | CAS | CAM | CAT | 5.2° | 0.3° |
| CAU | CAS | OAO | PAW | 147.0° | 105.3° |
| CAU | CAS | CAM | H3 | 174.9° | 179.7° |
| CAS | CAU | CAN | H8 | 178.1° | 180.0° |
| CAV | CAT | CAM | CAS | 2.8° | 0.1° |
| CAV | CAT | CAM | OAP | 175.8° | 179.9° |
| CAV | CAT | OAP | PAX | 132.6° | 105.0° |
| CAV | CAT | CAM | H3 | 177.2° | 180.0° |
| CAT | CAV | CAN | H8 | 179.6° | 179.8° |
| OAO | CAS | CAM | CAT | 178.7° | 179.9° |
| CAS | OAO | PAW | OAF | 36.9° | 54.9° |
| CAS | OAO | PAW | OAA | 160.6° | 175.0° |
| CAS | OAO | PAW | OAE | 75.2° | 65.1° |
| OAO | CAS | CAM | H3 | 1.3° | 0.0° |
| CAS | CAM | CAT | H3 | 180.0° | 180.0° |
| CAS | CAM | CAT | OAP | 178.6° | 180.0° |
| CAM | CAS | OAO | PAW | 39.2° | 74.9° |
| CAM | CAT | OAP | PAX | 51.7° | 75.0° |
| CAT | OAP | PAX | OAH | 32.3° | 55.0° |
| CAT | OAP | PAX | OAG | 149.0° | 65.0° |
| CAT | OAP | PAX | OAB | 89.7° | 175.0° |
| OAP | CAT | CAM | H3 | 1.4° | 0.0° |
| OAO | PAW | OAF | OAA | 124.5° | 120.0° |
| OAO | PAW | OAF | OAE | 113.5° | 120.0° |
| OAO | PAW | OAA | OAE | 121.2° | 119.9° |
| OAO | PAW | OAE | H1 | 113.8° | 60.0° |
| OAO | PAW | OAA | H2 | 121.3° | 180.0° |
| OAP | PAX | OAH | OAG | 115.5° | 120.0° |
| OAP | PAX | OAH | OAB | 122.1° | 120.0° |
| OAP | PAX | OAG | OAB | 121.1° | 120.0° |
| OAP | PAX | OAG | H4 | 116.7° | 59.9° |
| OAP | PAX | OAB | H5 | 120.7° | 180.0° |
| OAH | PAX | OAG | OAB | 122.2° | 120.0° |
| OAH | PAX | OAG | H4 | 0.0° | 180.0° |
| OAH | PAX | OAB | H5 | 0.0° | 60.0° |
| OAF | PAW | OAA | OAE | 117.5° | 120.0° |
| OAF | PAW | OAE | H1 | 0.0° | 180.0° |
| OAF | PAW | OAA | H2 | 0.0° | 60.0° |
| OAA | PAW | OAE | H1 | 121.6° | 60.0° |
| OAE | PAW | OAA | H2 | 117.5° | 60.1° |
| OAG | PAX | OAB | H5 | 120.8° | 60.0° |
| OAB | PAX | OAG | H4 | 122.2° | 60.1° |
