ZXB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAJ | sing | 1.51Å | 1.54Å | |
| CAJ | CAP | sing | 1.53Å | 1.54Å | |
| CAP | NAK | sing | 1.47Å | 1.48Å | |
| CAP | CAO | sing | 1.53Å | 1.53Å | |
| NAK | CAI | sing | 1.47Å | 1.47Å | |
| CAI | CAM | sing | 1.53Å | 1.53Å | |
| CAM | OAA | sing | 1.43Å | 1.43Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAN | OAB | sing | 1.43Å | 1.43Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAO | OAC | sing | 1.43Å | 1.44Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| NAK | HNAK | sing | 1.01Å | 1.00Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAG | CAL | 119.8° | 120.0° |
| CAG | CAE | CAD | 120.1° | 120.0° |
| CAE | CAG | HAG | 120.1° | 120.0° |
| CAG | CAE | HAE | 120.0° | 120.0° |
| CAG | CAL | CAH | 120.3° | 120.0° |
| CAG | CAL | CAJ | 118.5° | 120.0° |
| CAL | CAG | HAG | 120.1° | 120.0° |
| CAE | CAD | CAF | 120.1° | 120.0° |
| CAD | CAE | HAE | 119.9° | 120.0° |
| CAE | CAD | HAD | 119.9° | 120.0° |
| CAD | CAF | CAH | 119.9° | 120.0° |
| CAF | CAD | HAD | 120.0° | 119.9° |
| CAD | CAF | HAF | 120.0° | 120.1° |
| CAF | CAH | CAL | 119.8° | 120.0° |
| CAH | CAF | HAF | 120.1° | 119.9° |
| CAF | CAH | HAH | 120.1° | 120.0° |
| CAH | CAL | CAJ | 121.2° | 120.0° |
| CAL | CAH | HAH | 120.1° | 120.0° |
| CAL | CAJ | CAP | 115.8° | 109.5° |
| CAL | CAJ | HAJ | 107.4° | 109.4° |
| CAL | CAJ | HAJA | 105.9° | 109.5° |
| CAJ | CAP | NAK | 105.1° | 109.4° |
| CAJ | CAP | CAO | 109.7° | 109.4° |
| CAP | CAJ | HAJ | 107.4° | 109.5° |
| CAP | CAJ | HAJA | 105.9° | 109.5° |
| CAJ | CAP | HAP | 111.1° | 109.5° |
| NAK | CAP | CAO | 106.3° | 109.5° |
| CAP | NAK | CAI | 110.3° | 111.2° |
| NAK | CAP | HAP | 114.3° | 109.5° |
| CAP | NAK | HNAK | 109.2° | 111.0° |
| CAP | CAO | CAN | 112.3° | 109.3° |
| CAP | CAO | OAC | 105.4° | 109.5° |
| CAO | CAP | HAP | 110.0° | 109.5° |
| CAP | CAO | HAO | 109.5° | 109.5° |
| NAK | CAI | CAM | 107.6° | 109.5° |
| CAI | NAK | HNAK | 109.2° | 111.0° |
| NAK | CAI | HAI | 110.1° | 109.4° |
| NAK | CAI | HAIA | 110.5° | 109.4° |
| CAI | CAM | OAA | 108.6° | 109.5° |
| CAI | CAM | CAN | 110.5° | 109.3° |
| CAM | CAI | HAI | 110.1° | 109.5° |
| CAM | CAI | HAIA | 110.5° | 109.5° |
| CAI | CAM | HAM | 108.1° | 109.5° |
| OAA | CAM | CAN | 105.2° | 109.5° |
| OAA | CAM | HAM | 113.1° | 109.5° |
| CAM | OAA | HOAA | 109.5° | 114.0° |
| CAM | CAN | OAB | 103.2° | 109.5° |
| CAM | CAN | CAO | 109.8° | 109.1° |
| CAN | CAM | HAM | 111.3° | 109.5° |
| CAM | CAN | HAN | 112.5° | 109.5° |
| OAB | CAN | CAO | 107.3° | 109.5° |
| OAB | CAN | HAN | 114.9° | 109.5° |
| CAN | OAB | HOAB | 109.5° | 114.0° |
| CAN | CAO | OAC | 107.1° | 109.5° |
| CAO | CAN | HAN | 108.9° | 109.6° |
| CAN | CAO | HAO | 108.0° | 109.5° |
| OAC | CAO | HAO | 114.6° | 109.5° |
| CAO | OAC | HOAC | 109.5° | 114.0° |
| HAJ | CAJ | HAJA | 114.6° | 109.4° |
| HAI | CAI | HAIA | 108.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAG | CAL | HAG | 180.0° | 179.8° |
| CAG | CAE | CAD | HAE | 180.0° | 180.0° |
| CAG | CAE | CAD | CAF | 0.1° | 0.0° |
| CAE | CAG | CAL | CAH | 0.8° | 0.1° |
| CAE | CAG | CAL | CAJ | 175.5° | 180.0° |
| CAG | CAE | CAD | HAD | 179.9° | 180.0° |
| CAL | CAG | CAE | CAD | 0.6° | 0.0° |
| CAG | CAL | CAH | CAF | 0.4° | 0.2° |
| CAG | CAL | CAH | CAJ | 176.2° | 179.9° |
| CAG | CAL | CAJ | CAP | 155.3° | 90.1° |
| CAL | CAG | CAE | HAE | 179.4° | 179.9° |
| CAG | CAL | CAH | HAH | 179.6° | 180.0° |
| CAG | CAL | CAJ | HAJ | 84.7° | 150.0° |
| CAG | CAL | CAJ | HAJA | 38.2° | 30.0° |
| CAE | CAD | CAF | HAD | 180.0° | 180.0° |
| CAE | CAD | CAF | CAH | 0.3° | 0.0° |
| CAD | CAE | CAG | HAG | 179.4° | 179.8° |
| CAE | CAD | CAF | HAF | 179.8° | 180.0° |
| CAD | CAF | CAH | HAF | 180.0° | 180.0° |
| CAD | CAF | CAH | CAL | 0.1° | 0.1° |
| CAF | CAD | CAE | HAE | 179.9° | 180.0° |
| CAD | CAF | CAH | HAH | 179.9° | 180.0° |
| CAF | CAH | CAL | HAH | 180.0° | 179.8° |
| CAF | CAH | CAL | CAJ | 175.8° | 180.0° |
| CAH | CAF | CAD | HAD | 179.7° | 179.9° |
| CAH | CAL | CAJ | CAP | 28.4° | 90.1° |
| CAH | CAL | CAG | HAG | 179.2° | 179.6° |
| CAL | CAH | CAF | HAF | 179.9° | 179.9° |
| CAH | CAL | CAJ | HAJ | 91.6° | 29.9° |
| CAH | CAL | CAJ | HAJA | 145.5° | 149.8° |
| CAL | CAJ | CAP | HAJ | 120.0° | 120.0° |
| CAL | CAJ | CAP | HAJA | 117.1° | 120.1° |
| CAL | CAJ | CAP | NAK | 166.5° | 65.0° |
| CAL | CAJ | CAP | CAO | 52.6° | 174.9° |
| CAJ | CAL | CAG | HAG | 4.5° | 0.2° |
| CAJ | CAL | CAH | HAH | 4.2° | 0.1° |
| CAL | CAJ | HAJ | HAJA | 117.4° | 120.0° |
| CAL | CAJ | CAP | HAP | 69.3° | 55.0° |
| CAJ | CAP | NAK | CAO | 116.3° | 120.0° |
| CAJ | CAP | NAK | HAP | 122.1° | 120.0° |
| CAJ | CAP | CAO | HAP | 122.6° | 120.0° |
| CAJ | CAP | NAK | CAI | 177.5° | 178.3° |
| CAJ | CAP | CAO | CAN | 171.2° | 179.2° |
| CAJ | CAP | CAO | OAC | 54.9° | 59.2° |
| CAP | CAJ | HAJ | HAJA | 117.4° | 120.0° |
| CAJ | CAP | NAK | HNAK | 62.5° | 57.7° |
| CAJ | CAP | CAO | HAO | 68.8° | 60.9° |
| NAK | CAP | CAO | HAP | 124.2° | 120.1° |
| CAP | NAK | CAI | HNAK | 120.0° | 124.0° |
| CAP | NAK | CAI | CAM | 68.2° | 61.7° |
| NAK | CAP | CAO | CAN | 58.0° | 59.2° |
| NAK | CAP | CAO | OAC | 58.3° | 60.8° |
| NAK | CAP | CAJ | HAJ | 46.5° | 175.0° |
| NAK | CAP | CAJ | HAJA | 76.4° | 55.0° |
| CAP | NAK | CAI | HAI | 171.8° | 178.2° |
| CAP | NAK | CAI | HAIA | 52.6° | 58.3° |
| NAK | CAP | CAO | HAO | 178.0° | 179.1° |
| CAO | CAP | NAK | CAI | 66.2° | 61.7° |
| CAP | CAO | CAN | CAM | 52.5° | 57.7° |
| CAP | CAO | CAN | OAB | 164.0° | 177.6° |
| CAP | CAO | CAN | OAC | 115.2° | 120.0° |
| CAP | CAO | CAN | HAO | 120.9° | 119.9° |
| CAP | CAO | OAC | HAO | 120.5° | 120.1° |
| CAO | CAP | CAJ | HAJ | 67.4° | 55.0° |
| CAO | CAP | CAJ | HAJA | 169.7° | 65.0° |
| CAO | CAP | NAK | HNAK | 53.8° | 62.3° |
| CAP | CAO | CAN | HAN | 71.1° | 62.3° |
| CAP | CAO | OAC | HOAC | 29.9° | 180.0° |
| NAK | CAI | CAM | HAI | 120.0° | 120.0° |
| NAK | CAI | CAM | HAIA | 120.8° | 120.0° |
| NAK | CAI | CAM | OAA | 174.9° | 179.1° |
| NAK | CAI | CAM | CAN | 59.9° | 59.2° |
| CAI | NAK | CAP | HAP | 55.3° | 58.3° |
| NAK | CAI | HAI | HAIA | 120.8° | 119.9° |
| NAK | CAI | CAM | HAM | 62.1° | 60.8° |
| CAI | CAM | OAA | CAN | 118.3° | 119.8° |
| CAI | CAM | OAA | HAM | 120.0° | 120.1° |
| CAI | CAM | CAN | HAM | 120.1° | 120.0° |
| CAI | CAM | CAN | OAB | 166.6° | 177.6° |
| CAI | CAM | CAN | CAO | 52.5° | 57.7° |
| CAM | CAI | NAK | HNAK | 51.8° | 62.3° |
| CAM | CAI | HAI | HAIA | 120.7° | 120.0° |
| CAI | CAM | OAA | HOAA | 149.6° | 60.0° |
| CAI | CAM | CAN | HAN | 68.9° | 62.3° |
| OAA | CAM | CAN | HAM | 122.9° | 120.1° |
| OAA | CAM | CAN | OAB | 76.3° | 62.5° |
| OAA | CAM | CAN | CAO | 169.5° | 177.6° |
| OAA | CAM | CAI | HAI | 65.1° | 60.9° |
| OAA | CAM | CAI | HAIA | 54.1° | 59.1° |
| OAA | CAM | CAN | HAN | 48.1° | 57.6° |
| CAM | CAN | OAB | CAO | 116.0° | 119.6° |
| CAM | CAN | OAB | HAN | 122.9° | 120.1° |
| CAM | CAN | CAO | HAN | 123.6° | 119.9° |
| CAM | CAN | CAO | OAC | 62.7° | 62.3° |
| CAN | CAM | CAI | HAI | 180.0° | 179.2° |
| CAN | CAM | CAI | HAIA | 60.8° | 60.8° |
| CAN | CAM | OAA | HOAA | 31.3° | 179.8° |
| CAM | CAN | OAB | HOAB | 70.0° | 60.0° |
| CAM | CAN | CAO | HAO | 173.4° | 177.6° |
| OAB | CAN | CAO | HAN | 124.9° | 120.2° |
| OAB | CAN | CAO | OAC | 48.8° | 57.6° |
| OAB | CAN | CAM | HAM | 46.5° | 57.6° |
| OAB | CAN | CAO | HAO | 75.1° | 62.5° |
| CAN | CAO | OAC | HAO | 119.7° | 120.1° |
| CAN | CAO | CAP | HAP | 66.3° | 60.8° |
| CAO | CAN | CAM | HAM | 67.6° | 62.3° |
| CAO | CAN | OAB | HOAB | 46.0° | 179.7° |
| CAN | CAO | OAC | HOAC | 149.7° | 60.2° |
| OAC | CAO | CAP | HAP | 177.5° | 179.2° |
| OAC | CAO | CAN | HAN | 173.6° | 177.8° |
| HAG | CAG | CAE | HAE | 0.6° | 0.3° |
| HAE | CAE | CAD | HAD | 0.1° | 0.0° |
| HAD | CAD | CAF | HAF | 0.3° | 0.1° |
| HAF | CAF | CAH | HAH | 0.1° | 0.0° |
| HAJ | CAJ | CAP | HAP | 170.7° | 65.0° |
| HAJA | CAJ | CAP | HAP | 47.8° | 175.0° |
| HAP | CAP | NAK | HNAK | 175.4° | 177.6° |
| HAP | CAP | CAO | HAO | 53.7° | 59.1° |
| HNAK | NAK | CAI | HAI | 68.2° | 57.7° |
| HNAK | NAK | CAI | HAIA | 172.6° | 177.7° |
| HAI | CAI | CAM | HAM | 57.9° | 59.2° |
| HAIA | CAI | CAM | HAM | 177.1° | 179.2° |
| HAM | CAM | OAA | HOAA | 90.4° | 60.1° |
| HAM | CAM | CAN | HAN | 170.9° | 177.7° |
| HAN | CAN | OAB | HOAB | 167.1° | 60.1° |
| HAN | CAN | CAO | HAO | 49.7° | 57.7° |
| HAO | CAO | OAC | HOAC | 90.6° | 59.9° |
