XZ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | CL | sing | 1.74Å | 1.72Å | |
| NAY | CAA | sing | 1.46Å | 1.45Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | NAY | sing | 1.47Å | 1.45Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAP | OAC | doub | 1.22Å | 1.23Å | |
| OAD | SBA | doub | 1.42Å | 1.49Å | |
| SBA | OAE | doub | 1.42Å | 1.50Å | |
| CAQ | OAF | sing | 1.36Å | 1.37Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| CAS | OAG | sing | 1.36Å | 1.37Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| FAH | CAR | sing | 1.35Å | 1.35Å | |
| CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAT | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAW | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAT | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAM | sing | 1.38Å | 1.37Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAT | CAN | sing | 1.51Å | 1.48Å | |
| CAN | NAZ | sing | 1.46Å | 1.46Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | NAZ | sing | 1.47Å | 1.47Å | |
| CAO | CAV | sing | 1.51Å | 1.53Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| NAZ | CAP | sing | 1.34Å | 1.34Å | |
| CAP | CAX | sing | 1.47Å | 1.38Å | |
| CAQ | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAR | CAU | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAS | sing | 1.40Å | 1.40Å | Aromatic |
| CAW | CAV | sing | 1.37Å | 1.39Å | Aromatic |
| CAV | CAX | doub | 1.40Å | 1.39Å | Aromatic |
| SBA | CAW | sing | 1.76Å | 1.83Å | |
| NAY | SBA | sing | 1.66Å | 1.48Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAU | CAM | 120.5° | 120.0° |
| CL | CAU | CAR | 118.4° | 120.0° |
| NAY | CAA | HAA | 109.5° | 109.5° |
| NAY | CAA | HAAA | 109.4° | 109.5° |
| NAY | CAA | HAAB | 109.5° | 109.5° |
| CAA | NAY | CAB | 124.3° | 120.0° |
| CAA | NAY | SBA | 115.1° | 120.0° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| NAY | CAB | HAB | 109.5° | 109.4° |
| NAY | CAB | HABA | 109.5° | 109.5° |
| NAY | CAB | HABB | 109.5° | 109.5° |
| CAB | NAY | SBA | 119.6° | 120.0° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.5° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| OAC | CAP | NAZ | 126.1° | 124.8° |
| OAC | CAP | CAX | 121.5° | 124.8° |
| OAD | SBA | OAE | 104.6° | 123.2° |
| OAD | SBA | CAW | 109.0° | 106.4° |
| OAD | SBA | NAY | 116.8° | 106.4° |
| OAE | SBA | CAW | 113.1° | 106.4° |
| OAE | SBA | NAY | 108.9° | 106.4° |
| CAQ | OAF | HOAF | 109.5° | 114.0° |
| OAF | CAQ | CAL | 120.6° | 119.9° |
| OAF | CAQ | CAS | 119.5° | 119.9° |
| CAS | OAG | HOAG | 109.5° | 114.0° |
| OAG | CAS | CAQ | 121.1° | 120.2° |
| OAG | CAS | CAX | 119.9° | 120.2° |
| FAH | CAR | CAJ | 120.3° | 120.0° |
| FAH | CAR | CAU | 119.8° | 120.1° |
| CAK | CAJ | CAR | 119.7° | 120.0° |
| CAK | CAJ | HAJ | 120.1° | 120.0° |
| CAJ | CAK | CAT | 119.2° | 120.0° |
| CAJ | CAK | HAK | 120.4° | 120.0° |
| CAR | CAJ | HAJ | 120.2° | 120.0° |
| CAJ | CAR | CAU | 119.9° | 119.9° |
| CAT | CAK | HAK | 120.4° | 120.0° |
| CAK | CAT | CAM | 121.7° | 120.1° |
| CAK | CAT | CAN | 118.9° | 120.0° |
| CAW | CAL | CAQ | 121.1° | 120.2° |
| CAW | CAL | HAL | 119.5° | 119.9° |
| CAL | CAW | CAV | 118.3° | 120.1° |
| CAL | CAW | SBA | 122.2° | 119.9° |
| CAQ | CAL | HAL | 119.4° | 119.9° |
| CAL | CAQ | CAS | 119.9° | 120.2° |
| CAT | CAM | CAU | 118.4° | 120.0° |
| CAT | CAM | HAM | 120.8° | 120.0° |
| CAM | CAT | CAN | 119.4° | 120.0° |
| CAU | CAM | HAM | 120.8° | 120.0° |
| CAM | CAU | CAR | 121.0° | 120.0° |
| CAT | CAN | NAZ | 111.2° | 109.5° |
| CAT | CAN | HAN | 109.0° | 109.5° |
| CAT | CAN | HANA | 109.1° | 109.5° |
| NAZ | CAN | HAN | 109.1° | 109.5° |
| NAZ | CAN | HANA | 109.1° | 109.5° |
| CAN | NAZ | CAO | 125.0° | 125.6° |
| CAN | NAZ | CAP | 124.7° | 125.6° |
| HAN | CAN | HANA | 109.5° | 109.4° |
| NAZ | CAO | CAV | 101.1° | 106.2° |
| NAZ | CAO | HAO | 111.5° | 110.1° |
| NAZ | CAO | HAOA | 111.5° | 110.1° |
| CAO | NAZ | CAP | 110.3° | 108.7° |
| CAV | CAO | HAO | 111.6° | 110.1° |
| CAV | CAO | HAOA | 111.5° | 110.1° |
| CAO | CAV | CAW | 130.5° | 133.2° |
| CAO | CAV | CAX | 108.5° | 106.4° |
| HAO | CAO | HAOA | 109.5° | 110.1° |
| NAZ | CAP | CAX | 112.1° | 110.4° |
| CAP | CAX | CAS | 131.5° | 132.3° |
| CAP | CAX | CAV | 107.8° | 108.3° |
| CAQ | CAS | CAX | 119.0° | 119.6° |
| CAS | CAX | CAV | 120.7° | 119.4° |
| CAW | CAV | CAX | 121.0° | 120.5° |
| CAV | CAW | SBA | 119.4° | 119.9° |
| CAW | SBA | NAY | 104.7° | 107.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAU | CAR | FAH | 0.7° | 0.0° |
| CL | CAU | CAR | CAJ | 179.5° | 180.0° |
| CL | CAU | CAM | CAT | 177.7° | 180.0° |
| CL | CAU | CAM | CAR | 178.3° | 179.9° |
| CL | CAU | CAM | HAM | 2.3° | 0.0° |
| NAY | CAA | HAA | HAAA | 120.0° | 120.1° |
| NAY | CAA | HAA | HAAB | 120.0° | 120.0° |
| NAY | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | NAY | CAB | SBA | 168.0° | 180.0° |
| CAA | NAY | CAB | HAB | 180.0° | 84.8° |
| CAA | NAY | CAB | HABA | 60.0° | 155.2° |
| CAA | NAY | CAB | HABB | 60.0° | 35.1° |
| CAA | NAY | SBA | OAD | 152.0° | 162.9° |
| CAA | NAY | SBA | OAE | 33.9° | 29.9° |
| CAA | NAY | SBA | CAW | 87.4° | 83.6° |
| HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| HAA | CAA | NAY | CAB | 180.0° | 90.0° |
| HAA | CAA | NAY | SBA | 11.5° | 90.0° |
| HAAA | CAA | NAY | CAB | 60.0° | 150.0° |
| HAAA | CAA | NAY | SBA | 131.5° | 30.0° |
| HAAB | CAA | NAY | CAB | 60.0° | 30.0° |
| HAAB | CAA | NAY | SBA | 108.5° | 150.0° |
| NAY | CAB | HAB | HABA | 120.0° | 120.0° |
| NAY | CAB | HAB | HABB | 120.0° | 120.0° |
| NAY | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | NAY | SBA | OAD | 38.9° | 17.1° |
| CAB | NAY | SBA | OAE | 157.1° | 150.1° |
| CAB | NAY | SBA | CAW | 81.7° | 96.4° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | NAY | SBA | 12.0° | 95.2° |
| HABA | CAB | NAY | SBA | 108.0° | 24.8° |
| HABB | CAB | NAY | SBA | 132.0° | 144.9° |
| OAC | CAP | NAZ | CAN | 2.4° | 0.0° |
| OAC | CAP | NAZ | CAO | 178.0° | 180.0° |
| OAC | CAP | NAZ | CAX | 173.6° | 179.9° |
| OAC | CAP | CAX | CAS | 3.2° | 1.0° |
| OAC | CAP | CAX | CAV | 175.9° | 180.0° |
| OAD | SBA | OAE | CAW | 118.5° | 122.9° |
| OAD | SBA | OAE | NAY | 125.5° | 123.0° |
| OAD | SBA | CAW | CAL | 140.5° | 133.2° |
| OAD | SBA | CAW | CAV | 39.5° | 46.8° |
| OAD | SBA | CAW | NAY | 125.6° | 113.6° |
| OAE | SBA | CAW | CAL | 24.6° | 0.3° |
| OAE | SBA | CAW | CAV | 155.5° | 179.7° |
| OAE | SBA | CAW | NAY | 118.4° | 113.5° |
| OAF | CAQ | CAS | OAG | 1.3° | 0.1° |
| OAF | CAQ | CAL | CAW | 178.7° | 179.7° |
| OAF | CAQ | CAL | CAS | 178.6° | 180.0° |
| OAF | CAQ | CAL | HAL | 1.3° | 0.0° |
| OAF | CAQ | CAS | CAX | 177.7° | 180.0° |
| HOAF | OAF | CAQ | CAL | 180.0° | 90.0° |
| HOAF | OAF | CAQ | CAS | 1.4° | 90.0° |
| OAG | CAS | CAQ | CAL | 179.9° | 179.9° |
| OAG | CAS | CAX | CAP | 0.9° | 0.6° |
| OAG | CAS | CAQ | CAX | 178.9° | 179.9° |
| OAG | CAS | CAX | CAV | 179.9° | 179.5° |
| HOAG | OAG | CAS | CAQ | 177.0° | 90.0° |
| HOAG | OAG | CAS | CAX | 1.9° | 90.0° |
| FAH | CAR | CAJ | CAK | 178.5° | 180.0° |
| FAH | CAR | CAJ | CAU | 179.8° | 180.0° |
| FAH | CAR | CAJ | HAJ | 1.5° | 0.2° |
| FAH | CAR | CAU | CAM | 179.1° | 180.0° |
| CAK | CAJ | CAR | HAJ | 180.0° | 179.7° |
| CAJ | CAK | CAT | HAK | 180.0° | 180.0° |
| CAJ | CAK | CAT | CAM | 1.2° | 0.0° |
| CAJ | CAK | CAT | CAN | 178.5° | 179.9° |
| CAK | CAJ | CAR | CAU | 1.8° | 0.0° |
| CAR | CAJ | CAK | CAT | 0.6° | 0.0° |
| CAR | CAJ | CAK | HAK | 179.4° | 180.0° |
| CAJ | CAR | CAU | CAM | 1.1° | 0.0° |
| HAJ | CAJ | CAK | CAT | 179.4° | 179.7° |
| HAJ | CAJ | CAK | HAK | 0.6° | 0.3° |
| HAJ | CAJ | CAR | CAU | 178.2° | 179.7° |
| CAK | CAT | CAM | CAN | 177.3° | 179.9° |
| CAK | CAT | CAM | CAU | 1.8° | 0.1° |
| CAK | CAT | CAM | HAM | 178.2° | 180.0° |
| CAK | CAT | CAN | NAZ | 109.0° | 90.0° |
| CAK | CAT | CAN | HAN | 11.3° | 150.0° |
| CAK | CAT | CAN | HANA | 130.8° | 30.0° |
| HAK | CAK | CAT | CAM | 178.8° | 180.0° |
| HAK | CAK | CAT | CAN | 1.5° | 0.0° |
| CAW | CAL | CAQ | HAL | 180.0° | 179.7° |
| CAL | CAW | CAV | CAO | 179.5° | 179.5° |
| CAW | CAL | CAQ | CAS | 0.0° | 0.3° |
| CAL | CAW | CAV | SBA | 179.9° | 180.0° |
| CAL | CAW | CAV | CAX | 1.2° | 0.6° |
| CAL | CAW | SBA | NAY | 93.8° | 113.2° |
| CAL | CAQ | CAS | CAX | 1.0° | 0.0° |
| CAQ | CAL | CAW | CAV | 1.1° | 0.0° |
| CAQ | CAL | CAW | SBA | 179.0° | 180.0° |
| HAL | CAL | CAQ | CAS | 179.9° | 180.0° |
| HAL | CAL | CAW | CAV | 178.9° | 179.7° |
| HAL | CAL | CAW | SBA | 1.1° | 0.3° |
| CAT | CAM | CAU | HAM | 180.0° | 179.9° |
| CAM | CAT | CAN | NAZ | 73.7° | 90.0° |
| CAM | CAT | CAN | HAN | 166.1° | 29.9° |
| CAM | CAT | CAN | HANA | 46.6° | 149.9° |
| CAT | CAM | CAU | CAR | 0.7° | 0.1° |
| CAU | CAM | CAT | CAN | 179.1° | 180.0° |
| HAM | CAM | CAT | CAN | 0.9° | 0.1° |
| HAM | CAM | CAU | CAR | 179.4° | 180.0° |
| CAT | CAN | NAZ | HAN | 120.2° | 120.0° |
| CAT | CAN | NAZ | HANA | 120.3° | 120.0° |
| CAT | CAN | HAN | HANA | 119.2° | 120.0° |
| CAT | CAN | NAZ | CAO | 81.0° | 90.0° |
| CAT | CAN | NAZ | CAP | 98.5° | 90.0° |
| NAZ | CAN | HAN | HANA | 119.3° | 120.0° |
| CAN | NAZ | CAO | CAP | 179.6° | 180.0° |
| CAN | NAZ | CAO | CAV | 175.7° | 180.0° |
| CAN | NAZ | CAO | HAO | 65.6° | 60.8° |
| CAN | NAZ | CAO | HAOA | 57.1° | 60.8° |
| CAN | NAZ | CAP | CAX | 176.0° | 179.9° |
| HAN | CAN | NAZ | CAO | 39.2° | 30.0° |
| HAN | CAN | NAZ | CAP | 141.2° | 150.0° |
| HANA | CAN | NAZ | CAO | 158.7° | 150.0° |
| HANA | CAN | NAZ | CAP | 21.7° | 30.0° |
| NAZ | CAO | CAV | HAO | 118.6° | 119.2° |
| NAZ | CAO | CAV | HAOA | 118.6° | 119.2° |
| NAZ | CAO | HAO | HAOA | 123.9° | 121.6° |
| CAO | NAZ | CAP | CAX | 4.4° | 0.1° |
| NAZ | CAO | CAV | CAW | 177.1° | 179.9° |
| NAZ | CAO | CAV | CAX | 3.5° | 0.0° |
| CAV | CAO | HAO | HAOA | 123.9° | 121.6° |
| CAV | CAO | NAZ | CAP | 4.6° | 0.0° |
| CAO | CAV | CAX | CAP | 1.2° | 0.0° |
| CAO | CAV | CAX | CAS | 179.6° | 179.2° |
| CAO | CAV | CAW | CAX | 179.3° | 179.9° |
| CAO | CAV | CAW | SBA | 0.4° | 0.5° |
| HAO | CAO | NAZ | CAP | 114.0° | 119.2° |
| HAO | CAO | CAV | CAW | 64.2° | 60.9° |
| HAO | CAO | CAV | CAX | 115.1° | 119.2° |
| HAOA | CAO | NAZ | CAP | 123.3° | 119.2° |
| HAOA | CAO | CAV | CAW | 58.5° | 60.7° |
| HAOA | CAO | CAV | CAX | 122.1° | 119.2° |
| NAZ | CAP | CAX | CAS | 177.1° | 179.1° |
| NAZ | CAP | CAX | CAV | 1.9° | 0.1° |
| CAP | CAX | CAS | CAQ | 178.0° | 179.5° |
| CAP | CAX | CAS | CAV | 178.9° | 178.9° |
| CAP | CAX | CAV | CAW | 179.3° | 180.0° |
| CAQ | CAS | CAX | CAV | 0.9° | 0.6° |
| CAS | CAX | CAV | CAW | 0.2° | 0.8° |
| CAV | CAW | SBA | NAY | 86.1° | 66.8° |
| CAX | CAV | CAW | SBA | 178.9° | 179.4° |
