ZYQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.51Å | 1.51Å | |
| CAK | OAB | doub | 1.21Å | 1.23Å | |
| CAK | NAI | sing | 1.35Å | 1.32Å | |
| NAI | CAN | sing | 1.38Å | 1.31Å | |
| CAN | NAG | doub | 1.30Å | 1.32Å | Aromatic |
| CAN | SAJ | sing | 1.71Å | 1.60Å | Aromatic |
| NAG | CAM | sing | 1.32Å | 1.34Å | Aromatic |
| CAM | CAF | sing | 1.51Å | 1.52Å | |
| CAM | CAO | doub | 1.37Å | 1.36Å | Aromatic |
| CAF | CAD | sing | 1.53Å | 1.52Å | |
| CAD | CAE | sing | 1.53Å | 1.53Å | |
| CAE | NAH | sing | 1.45Å | 1.47Å | |
| NAH | CAL | sing | 1.36Å | 1.33Å | |
| CAL | OAC | doub | 1.22Å | 1.23Å | |
| CAL | CAO | sing | 1.47Å | 1.49Å | |
| CAO | SAJ | sing | 1.75Å | 1.61Å | Aromatic |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| NAI | HAI | sing | 0.97Å | 1.00Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| NAH | HAH | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAK | OAB | 121.1° | 120.0° |
| CAA | CAK | NAI | 114.7° | 120.0° |
| CAK | CAA | HAA1 | 109.5° | 109.5° |
| CAK | CAA | HAA2 | 109.5° | 109.5° |
| CAK | CAA | HAA3 | 109.4° | 109.5° |
| OAB | CAK | NAI | 124.2° | 119.9° |
| CAK | NAI | CAN | 117.8° | 120.0° |
| CAK | NAI | HAI | 121.1° | 119.9° |
| NAI | CAN | NAG | 127.4° | 124.8° |
| NAI | CAN | SAJ | 122.8° | 124.7° |
| CAN | NAI | HAI | 121.1° | 120.0° |
| NAG | CAN | SAJ | 109.8° | 110.4° |
| CAN | NAG | CAM | 113.7° | 118.1° |
| CAN | SAJ | CAO | 95.8° | 90.1° |
| NAG | CAM | CAF | 127.4° | 125.4° |
| NAG | CAM | CAO | 112.3° | 112.2° |
| CAF | CAM | CAO | 120.3° | 122.4° |
| CAM | CAF | CAD | 111.3° | 109.9° |
| CAM | CAF | HAF1 | 108.9° | 109.4° |
| CAM | CAF | HAF2 | 108.5° | 109.3° |
| CAM | CAO | CAL | 129.0° | 122.4° |
| CAM | CAO | SAJ | 108.4° | 109.2° |
| CAF | CAD | CAE | 117.2° | 109.8° |
| CAD | CAF | HAF1 | 108.9° | 109.5° |
| CAD | CAF | HAF2 | 108.5° | 109.4° |
| CAF | CAD | HAD1 | 107.0° | 109.4° |
| CAF | CAD | HAD2 | 105.2° | 109.5° |
| CAD | CAE | NAH | 118.0° | 113.5° |
| CAE | CAD | HAD1 | 107.0° | 109.4° |
| CAE | CAD | HAD2 | 105.2° | 109.4° |
| CAD | CAE | HAE1 | 106.7° | 108.7° |
| CAD | CAE | HAE2 | 104.8° | 108.7° |
| CAE | NAH | CAL | 131.2° | 119.2° |
| NAH | CAE | HAE1 | 106.7° | 108.7° |
| NAH | CAE | HAE2 | 104.7° | 108.7° |
| CAE | NAH | HAH | 114.4° | 120.4° |
| NAH | CAL | OAC | 114.1° | 122.2° |
| NAH | CAL | CAO | 128.7° | 115.6° |
| CAL | NAH | HAH | 114.4° | 120.4° |
| OAC | CAL | CAO | 116.8° | 122.3° |
| CAL | CAO | SAJ | 122.6° | 128.4° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAF1 | CAF | HAF2 | 110.9° | 109.3° |
| HAD1 | CAD | HAD2 | 115.7° | 109.4° |
| HAE1 | CAE | HAE2 | 116.4° | 108.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAK | OAB | NAI | 178.8° | 180.0° |
| CAA | CAK | NAI | CAN | 179.6° | 180.0° |
| CAK | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAK | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAK | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAK | NAI | HAI | 0.4° | 0.0° |
| OAB | CAK | NAI | CAN | 0.7° | 0.1° |
| OAB | CAK | CAA | HAA1 | 36.4° | 0.0° |
| OAB | CAK | CAA | HAA2 | 83.6° | 120.0° |
| OAB | CAK | CAA | HAA3 | 156.4° | 120.0° |
| OAB | CAK | NAI | HAI | 179.2° | 179.9° |
| CAK | NAI | CAN | HAI | 180.0° | 180.0° |
| CAK | NAI | CAN | NAG | 166.7° | 180.0° |
| CAK | NAI | CAN | SAJ | 12.3° | 0.3° |
| NAI | CAK | CAA | HAA1 | 142.5° | 179.9° |
| NAI | CAK | CAA | HAA2 | 97.5° | 60.0° |
| NAI | CAK | CAA | HAA3 | 22.5° | 60.0° |
| NAI | CAN | NAG | SAJ | 179.1° | 179.8° |
| NAI | CAN | NAG | CAM | 179.3° | 179.9° |
| NAI | CAN | SAJ | CAO | 179.8° | 179.5° |
| CAN | NAG | CAM | CAF | 179.4° | 178.8° |
| CAN | NAG | CAM | CAO | 0.5° | 0.5° |
| NAG | CAN | SAJ | CAO | 0.6° | 0.7° |
| NAG | CAN | NAI | HAI | 13.3° | 0.0° |
| SAJ | CAN | NAG | CAM | 0.2° | 0.3° |
| CAN | SAJ | CAO | CAM | 0.9° | 1.0° |
| CAN | SAJ | CAO | CAL | 179.1° | 179.0° |
| SAJ | CAN | NAI | HAI | 167.7° | 179.7° |
| NAG | CAM | CAF | CAO | 179.9° | 179.3° |
| NAG | CAM | CAF | CAD | 123.5° | 109.0° |
| NAG | CAM | CAO | CAL | 179.1° | 178.9° |
| NAG | CAM | CAO | SAJ | 0.9° | 1.0° |
| NAG | CAM | CAF | HAF1 | 116.5° | 130.8° |
| NAG | CAM | CAF | HAF2 | 4.3° | 11.1° |
| CAM | CAF | CAD | HAF1 | 120.0° | 120.1° |
| CAM | CAF | CAD | HAF2 | 119.2° | 120.1° |
| CAM | CAF | CAD | CAE | 82.7° | 42.1° |
| CAF | CAM | CAO | CAL | 1.0° | 1.7° |
| CAF | CAM | CAO | SAJ | 179.0° | 178.3° |
| CAM | CAF | HAF1 | HAF2 | 119.3° | 119.7° |
| CAM | CAF | CAD | HAD1 | 157.4° | 162.2° |
| CAM | CAF | CAD | HAD2 | 33.8° | 78.0° |
| CAO | CAM | CAF | CAD | 56.6° | 70.3° |
| CAM | CAO | CAL | NAH | 27.5° | 44.2° |
| CAM | CAO | CAL | OAC | 160.1° | 135.8° |
| CAM | CAO | CAL | SAJ | 179.9° | 180.0° |
| CAO | CAM | CAF | HAF1 | 63.4° | 49.9° |
| CAO | CAM | CAF | HAF2 | 175.9° | 169.6° |
| CAF | CAD | CAE | HAD1 | 120.0° | 120.1° |
| CAF | CAD | CAE | HAD2 | 116.4° | 120.2° |
| CAF | CAD | CAE | NAH | 47.7° | 44.5° |
| CAD | CAF | HAF1 | HAF2 | 119.3° | 119.9° |
| CAF | CAD | HAD1 | HAD2 | 116.8° | 119.9° |
| CAF | CAD | CAE | HAE1 | 72.3° | 165.5° |
| CAF | CAD | CAE | HAE2 | 163.7° | 76.6° |
| CAD | CAE | NAH | HAE1 | 120.0° | 121.1° |
| CAD | CAE | NAH | HAE2 | 116.0° | 121.1° |
| CAD | CAE | NAH | CAL | 7.1° | 85.9° |
| CAE | CAD | CAF | HAF1 | 37.3° | 78.0° |
| CAE | CAD | CAF | HAF2 | 158.1° | 162.2° |
| CAE | CAD | HAD1 | HAD2 | 116.9° | 119.8° |
| CAD | CAE | HAE1 | HAE2 | 116.5° | 118.0° |
| CAD | CAE | NAH | HAH | 172.9° | 94.0° |
| CAE | NAH | CAL | HAH | 180.0° | 180.0° |
| CAE | NAH | CAL | OAC | 178.1° | 166.3° |
| CAE | NAH | CAL | CAO | 9.3° | 13.8° |
| NAH | CAE | CAD | HAD1 | 167.7° | 75.6° |
| NAH | CAE | CAD | HAD2 | 68.7° | 164.6° |
| NAH | CAE | HAE1 | HAE2 | 116.4° | 118.0° |
| NAH | CAL | OAC | CAO | 173.6° | 179.9° |
| NAH | CAL | CAO | SAJ | 152.5° | 135.9° |
| CAL | NAH | CAE | HAE1 | 112.9° | 153.0° |
| CAL | NAH | CAE | HAE2 | 123.1° | 35.1° |
| OAC | CAL | CAO | SAJ | 20.0° | 44.2° |
| OAC | CAL | NAH | HAH | 1.9° | 13.7° |
| CAO | CAL | NAH | HAH | 170.7° | 166.2° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAF1 | CAF | CAD | HAD1 | 82.7° | 42.0° |
| HAF1 | CAF | CAD | HAD2 | 153.8° | 161.9° |
| HAF2 | CAF | CAD | HAD1 | 38.1° | 77.7° |
| HAF2 | CAF | CAD | HAD2 | 85.4° | 42.1° |
| HAD1 | CAD | CAE | HAE1 | 47.7° | 45.4° |
| HAD1 | CAD | CAE | HAE2 | 76.4° | 163.3° |
| HAD2 | CAD | CAE | HAE1 | 171.3° | 74.3° |
| HAD2 | CAD | CAE | HAE2 | 47.2° | 43.5° |
| HAE1 | CAE | NAH | HAH | 67.0° | 27.1° |
| HAE2 | CAE | NAH | HAH | 57.0° | 144.9° |
