QZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | PAW | doub | 1.48Å | 1.50Å | |
| OAG | PAX | doub | 1.48Å | 1.57Å | |
| OAB | PAX | sing | 1.61Å | 1.48Å | |
| PAX | OAH | sing | 1.61Å | 1.58Å | |
| PAX | CAV | sing | 1.82Å | 1.87Å | |
| PAW | OAE | sing | 1.61Å | 1.53Å | |
| PAW | OAF | sing | 1.61Å | 1.54Å | |
| PAW | CAV | sing | 1.82Å | 1.83Å | |
| CAV | NAR | sing | 1.46Å | 1.47Å | |
| NAR | SAY | sing | 1.66Å | 1.63Å | |
| OAC | SAY | doub | 1.42Å | 1.50Å | |
| SAY | CAU | sing | 1.76Å | 1.79Å | |
| SAY | OAD | doub | 1.42Å | 1.50Å | |
| CAU | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAO | sing | 1.38Å | 1.38Å | Aromatic |
| CAP | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAT | doub | 1.39Å | 1.41Å | Aromatic |
| CAN | CAT | sing | 1.39Å | 1.41Å | Aromatic |
| CAT | CAS | sing | 1.48Å | 1.42Å | |
| CAM | CAS | doub | 1.39Å | 1.42Å | Aromatic |
| CAM | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAS | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| OAE | H1 | sing | 0.97Å | 0.95Å | |
| OAF | H2 | sing | 0.97Å | 0.95Å | |
| CAV | H3 | sing | 1.09Å | 1.10Å | |
| OAH | H4 | sing | 0.97Å | 0.95Å | |
| OAB | H5 | sing | 0.97Å | 0.95Å | |
| NAR | H6 | sing | 0.97Å | 1.00Å | |
| CAQ | H7 | sing | 1.08Å | 1.08Å | |
| CAO | H8 | sing | 1.08Å | 1.08Å | |
| CAP | H9 | sing | 1.08Å | 1.08Å | |
| CAN | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAI | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| CAM | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | PAW | OAE | 117.2° | 109.5° |
| OAA | PAW | OAF | 109.5° | 109.5° |
| OAA | PAW | CAV | 107.5° | 109.5° |
| OAG | PAX | OAB | 116.0° | 109.5° |
| OAG | PAX | OAH | 110.6° | 109.5° |
| OAG | PAX | CAV | 105.6° | 109.5° |
| OAB | PAX | OAH | 109.6° | 109.5° |
| OAB | PAX | CAV | 110.6° | 109.5° |
| PAX | OAB | H5 | 109.5° | 114.0° |
| OAH | PAX | CAV | 103.6° | 109.5° |
| PAX | OAH | H4 | 109.5° | 114.0° |
| PAX | CAV | PAW | 113.3° | 109.5° |
| PAX | CAV | NAR | 107.0° | 109.5° |
| PAX | CAV | H3 | 107.6° | 109.5° |
| OAE | PAW | OAF | 108.8° | 109.5° |
| OAE | PAW | CAV | 108.9° | 109.5° |
| PAW | OAE | H1 | 109.5° | 114.0° |
| OAF | PAW | CAV | 104.2° | 109.5° |
| PAW | OAF | H2 | 109.5° | 114.0° |
| PAW | CAV | NAR | 108.5° | 109.5° |
| PAW | CAV | H3 | 107.9° | 109.5° |
| CAV | NAR | SAY | 117.6° | 120.0° |
| NAR | CAV | H3 | 112.6° | 109.5° |
| CAV | NAR | H6 | 107.4° | 120.0° |
| NAR | SAY | OAC | 112.5° | 106.3° |
| NAR | SAY | CAU | 112.6° | 107.2° |
| NAR | SAY | OAD | 105.9° | 106.4° |
| SAY | NAR | H6 | 107.4° | 120.1° |
| OAC | SAY | CAU | 108.5° | 106.4° |
| OAC | SAY | OAD | 115.3° | 123.2° |
| CAU | SAY | OAD | 101.5° | 106.4° |
| SAY | CAU | CAQ | 120.8° | 119.9° |
| SAY | CAU | CAP | 120.5° | 119.9° |
| CAQ | CAU | CAP | 118.6° | 120.2° |
| CAU | CAQ | CAO | 120.9° | 120.1° |
| CAU | CAQ | H7 | 119.5° | 119.9° |
| CAU | CAP | CAN | 121.2° | 120.1° |
| CAU | CAP | H9 | 119.4° | 119.9° |
| CAQ | CAO | CAT | 120.9° | 119.9° |
| CAO | CAQ | H7 | 119.5° | 120.0° |
| CAQ | CAO | H8 | 119.6° | 120.1° |
| CAP | CAN | CAT | 120.2° | 119.9° |
| CAN | CAP | H9 | 119.4° | 120.0° |
| CAP | CAN | H10 | 119.9° | 120.0° |
| CAO | CAT | CAN | 118.2° | 119.7° |
| CAO | CAT | CAS | 120.7° | 120.2° |
| CAT | CAO | H8 | 119.5° | 120.0° |
| CAN | CAT | CAS | 121.1° | 120.1° |
| CAT | CAN | H10 | 119.9° | 120.0° |
| CAT | CAS | CAM | 121.1° | 120.1° |
| CAT | CAS | CAL | 120.1° | 120.2° |
| CAS | CAM | CAK | 120.8° | 119.9° |
| CAM | CAS | CAL | 118.5° | 119.7° |
| CAS | CAM | H15 | 119.6° | 120.0° |
| CAM | CAK | CAI | 118.9° | 120.1° |
| CAM | CAK | H14 | 120.6° | 120.0° |
| CAK | CAM | H15 | 119.6° | 120.0° |
| CAS | CAL | CAJ | 121.0° | 119.9° |
| CAS | CAL | H11 | 119.5° | 120.0° |
| CAK | CAI | CAJ | 121.0° | 120.2° |
| CAK | CAI | H13 | 119.5° | 119.9° |
| CAI | CAK | H14 | 120.5° | 119.9° |
| CAL | CAJ | CAI | 119.5° | 120.1° |
| CAJ | CAL | H11 | 119.4° | 120.0° |
| CAL | CAJ | H12 | 120.2° | 119.9° |
| CAI | CAJ | H12 | 120.3° | 119.9° |
| CAJ | CAI | H13 | 119.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | PAW | CAV | PAX | 41.8° | 180.0° |
| OAA | PAW | OAE | OAF | 124.8° | 120.0° |
| OAA | PAW | OAE | CAV | 122.2° | 120.0° |
| OAA | PAW | OAF | CAV | 114.8° | 120.0° |
| OAA | PAW | CAV | NAR | 160.5° | 60.0° |
| OAA | PAW | OAE | H1 | 0.0° | 60.0° |
| OAA | PAW | OAF | H2 | 0.0° | 180.0° |
| OAA | PAW | CAV | H3 | 77.2° | 60.0° |
| OAG | PAX | OAB | OAH | 126.1° | 120.0° |
| OAG | PAX | OAB | CAV | 120.3° | 120.0° |
| OAG | PAX | OAH | CAV | 112.8° | 120.0° |
| OAG | PAX | CAV | PAW | 68.0° | 58.8° |
| OAG | PAX | CAV | NAR | 172.5° | 61.2° |
| OAG | PAX | CAV | H3 | 51.3° | 178.7° |
| OAG | PAX | OAH | H4 | 0.0° | 60.8° |
| OAG | PAX | OAB | H5 | 0.0° | 60.0° |
| OAB | PAX | OAH | CAV | 118.1° | 120.0° |
| OAB | PAX | CAV | PAW | 58.3° | 61.2° |
| OAB | PAX | CAV | NAR | 61.2° | 178.8° |
| OAB | PAX | CAV | H3 | 177.6° | 58.7° |
| OAB | PAX | OAH | H4 | 129.1° | 179.2° |
| OAH | PAX | CAV | PAW | 175.7° | 178.8° |
| OAH | PAX | CAV | NAR | 56.2° | 58.8° |
| OAH | PAX | CAV | H3 | 65.1° | 61.3° |
| OAH | PAX | OAB | H5 | 126.1° | 180.0° |
| PAX | CAV | PAW | OAE | 86.1° | 60.0° |
| PAX | CAV | PAW | OAF | 158.0° | 60.0° |
| PAX | CAV | PAW | NAR | 118.7° | 120.0° |
| PAX | CAV | PAW | H3 | 119.1° | 120.0° |
| PAX | CAV | NAR | H3 | 118.0° | 120.0° |
| PAX | CAV | NAR | SAY | 119.2° | 133.6° |
| CAV | PAX | OAH | H4 | 112.8° | 59.2° |
| CAV | PAX | OAB | H5 | 120.3° | 60.0° |
| PAX | CAV | NAR | H6 | 119.6° | 46.3° |
| OAE | PAW | OAF | CAV | 116.1° | 120.0° |
| OAE | PAW | CAV | NAR | 32.6° | 180.0° |
| OAE | PAW | OAF | H2 | 129.2° | 60.0° |
| OAE | PAW | CAV | H3 | 154.9° | 60.0° |
| OAF | PAW | CAV | NAR | 83.3° | 60.0° |
| OAF | PAW | OAE | H1 | 124.8° | 60.0° |
| OAF | PAW | CAV | H3 | 38.9° | 180.0° |
| PAW | CAV | NAR | H3 | 119.4° | 120.0° |
| PAW | CAV | NAR | SAY | 118.2° | 106.4° |
| CAV | PAW | OAE | H1 | 122.3° | 180.0° |
| CAV | PAW | OAF | H2 | 114.8° | 60.0° |
| PAW | CAV | NAR | H6 | 3.0° | 73.7° |
| CAV | NAR | SAY | H6 | 121.2° | 179.9° |
| CAV | NAR | SAY | OAC | 36.8° | 178.8° |
| CAV | NAR | SAY | CAU | 86.2° | 65.3° |
| CAV | NAR | SAY | OAD | 163.7° | 48.3° |
| NAR | SAY | OAC | CAU | 125.3° | 114.1° |
| NAR | SAY | OAC | OAD | 121.6° | 122.9° |
| NAR | SAY | CAU | OAD | 112.9° | 113.6° |
| NAR | SAY | CAU | CAQ | 118.8° | 84.6° |
| NAR | SAY | CAU | CAP | 64.8° | 95.7° |
| SAY | NAR | CAV | H3 | 1.2° | 13.6° |
| OAC | SAY | CAU | OAD | 121.9° | 133.0° |
| OAC | SAY | CAU | CAQ | 6.4° | 28.8° |
| OAC | SAY | CAU | CAP | 170.0° | 150.8° |
| OAC | SAY | NAR | H6 | 158.0° | 1.1° |
| SAY | CAU | CAQ | CAP | 176.4° | 179.7° |
| SAY | CAU | CAQ | CAO | 177.5° | 180.0° |
| SAY | CAU | CAP | CAN | 177.9° | 180.0° |
| CAU | SAY | NAR | H6 | 35.0° | 114.6° |
| SAY | CAU | CAQ | H7 | 2.5° | 0.0° |
| SAY | CAU | CAP | H9 | 2.1° | 0.1° |
| OAD | SAY | CAU | CAQ | 128.3° | 161.8° |
| OAD | SAY | CAU | CAP | 48.0° | 17.9° |
| OAD | SAY | NAR | H6 | 75.2° | 131.8° |
| CAU | CAQ | CAO | H7 | 180.0° | 180.0° |
| CAQ | CAU | CAP | CAN | 1.5° | 0.3° |
| CAU | CAQ | CAO | CAT | 0.3° | 0.0° |
| CAU | CAQ | CAO | H8 | 179.7° | 180.0° |
| CAQ | CAU | CAP | H9 | 178.5° | 179.8° |
| CAP | CAU | CAQ | CAO | 1.2° | 0.3° |
| CAU | CAP | CAN | H9 | 180.0° | 179.9° |
| CAU | CAP | CAN | CAT | 1.0° | 0.1° |
| CAP | CAU | CAQ | H7 | 178.8° | 179.7° |
| CAU | CAP | CAN | H10 | 179.0° | 180.0° |
| CAQ | CAO | CAT | H8 | 180.0° | 180.0° |
| CAQ | CAO | CAT | CAN | 0.3° | 0.3° |
| CAQ | CAO | CAT | CAS | 178.8° | 180.0° |
| CAP | CAN | CAT | CAO | 0.1° | 0.2° |
| CAP | CAN | CAT | H10 | 180.0° | 180.0° |
| CAP | CAN | CAT | CAS | 178.4° | 180.0° |
| CAO | CAT | CAN | CAS | 178.5° | 179.7° |
| CAO | CAT | CAS | CAM | 33.1° | 0.3° |
| CAO | CAT | CAS | CAL | 139.8° | NaN° |
| CAT | CAO | CAQ | H7 | 179.7° | 180.0° |
| CAO | CAT | CAN | H10 | 179.9° | 179.7° |
| CAN | CAT | CAS | CAM | 148.5° | 180.0° |
| CAN | CAT | CAS | CAL | 38.7° | 0.3° |
| CAN | CAT | CAO | H8 | 179.7° | 179.7° |
| CAT | CAN | CAP | H9 | 179.0° | 180.0° |
| CAT | CAS | CAM | CAL | 172.9° | 179.7° |
| CAT | CAS | CAM | CAK | 178.5° | 179.7° |
| CAT | CAS | CAL | CAJ | 179.2° | 179.9° |
| CAS | CAT | CAO | H8 | 1.2° | 0.0° |
| CAS | CAT | CAN | H10 | 1.6° | 0.0° |
| CAT | CAS | CAL | H11 | 0.8° | 0.0° |
| CAT | CAS | CAM | H15 | 1.5° | 0.0° |
| CAS | CAM | CAK | H15 | 180.0° | 179.7° |
| CAS | CAM | CAK | CAI | 3.2° | 0.6° |
| CAM | CAS | CAL | CAJ | 6.2° | 0.3° |
| CAM | CAS | CAL | H11 | 173.8° | 179.7° |
| CAS | CAM | CAK | H14 | 176.8° | 179.7° |
| CAK | CAM | CAS | CAL | 5.6° | 0.6° |
| CAM | CAK | CAI | H14 | 180.0° | 179.7° |
| CAM | CAK | CAI | CAJ | 1.3° | 0.3° |
| CAM | CAK | CAI | H13 | 178.8° | 179.7° |
| CAS | CAL | CAJ | H11 | 180.0° | 180.0° |
| CAS | CAL | CAJ | CAI | 4.4° | 0.0° |
| CAS | CAL | CAJ | H12 | 175.6° | 180.0° |
| CAL | CAS | CAM | H15 | 174.5° | 179.7° |
| CAK | CAI | CAJ | CAL | 1.9° | 0.0° |
| CAK | CAI | CAJ | H13 | 180.0° | 180.0° |
| CAK | CAI | CAJ | H12 | 178.1° | 180.0° |
| CAI | CAK | CAM | H15 | 176.9° | 179.7° |
| CAL | CAJ | CAI | H12 | 180.0° | 180.0° |
| CAL | CAJ | CAI | H13 | 178.2° | 180.0° |
| CAI | CAJ | CAL | H11 | 175.6° | 180.0° |
| CAJ | CAI | CAK | H14 | 178.7° | 180.0° |
| H3 | CAV | NAR | H6 | 122.4° | 166.3° |
| H7 | CAQ | CAO | H8 | 0.3° | 0.0° |
| H9 | CAP | CAN | H10 | 1.0° | 0.1° |
| H11 | CAL | CAJ | H12 | 4.4° | 0.0° |
| H12 | CAJ | CAI | H13 | 1.8° | 0.0° |
| H13 | CAI | CAK | H14 | 1.2° | 0.1° |
| H14 | CAK | CAM | H15 | 3.1° | 0.0° |
