HZ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAZ | doub | 1.21Å | 1.45Å | |
| CAZ | OAO | sing | 1.35Å | 1.46Å | |
| CAZ | CAT | sing | 1.48Å | 1.58Å | |
| OAO | CAA | sing | 1.45Å | 1.47Å | |
| CAT | CBB | sing | 1.53Å | 1.55Å | |
| CAT | CAU | doub | 1.36Å | 1.39Å | |
| OAF | CBA | doub | 1.21Å | 1.45Å | |
| OAQ | CBB | sing | 1.47Å | 1.45Å | |
| OAQ | CBC | sing | 1.47Å | 1.47Å | |
| CBB | CAR | sing | 1.53Å | 1.54Å | |
| CBA | CAU | sing | 1.48Å | 1.51Å | |
| CBA | OAP | sing | 1.35Å | 1.43Å | |
| CAU | CBC | sing | 1.56Å | 1.53Å | |
| CBC | CAS | sing | 1.53Å | 1.52Å | |
| CAR | CAX | sing | 1.47Å | 1.38Å | |
| CAR | CAS | doub | 1.36Å | 1.40Å | |
| CAB | OAP | sing | 1.45Å | 1.46Å | |
| CAX | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAX | CAK | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAY | sing | 1.47Å | 1.40Å | |
| CAK | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAG | CAV | sing | 1.39Å | 1.38Å | Aromatic |
| CAV | OAC | sing | 1.36Å | 1.36Å | |
| CAY | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAY | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | CAJ | sing | 1.38Å | 1.37Å | Aromatic |
| CAM | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | OAD | sing | 1.36Å | 1.36Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CBB | HBB | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CBC | HBC | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAZ | OAO | 109.6° | 119.9° |
| OAE | CAZ | CAT | 113.0° | 120.0° |
| OAO | CAZ | CAT | 120.3° | 120.0° |
| CAZ | OAO | CAA | 114.8° | 117.1° |
| CAZ | CAT | CBB | 128.8° | 127.5° |
| CAZ | CAT | CAU | 128.1° | 127.5° |
| OAO | CAA | HAA1 | 109.5° | 109.5° |
| OAO | CAA | HAA2 | 109.5° | 109.5° |
| OAO | CAA | HAA3 | 109.4° | 109.4° |
| CBB | CAT | CAU | 103.0° | 105.0° |
| CAT | CBB | OAQ | 95.8° | 101.4° |
| CAT | CBB | CAR | 122.3° | 104.9° |
| CAT | CBB | HBB | 106.4° | 115.8° |
| CAT | CAU | CBA | 126.2° | 127.5° |
| CAT | CAU | CBC | 107.9° | 104.8° |
| OAF | CBA | CAU | 112.3° | 120.0° |
| OAF | CBA | OAP | 113.8° | 120.0° |
| CBB | OAQ | CBC | 98.0° | 94.3° |
| OAQ | CBB | CAR | 91.8° | 100.6° |
| OAQ | CBB | HBB | 132.3° | 116.1° |
| OAQ | CBC | CAU | 93.7° | 100.6° |
| OAQ | CBC | CAS | 93.0° | 100.5° |
| OAQ | CBC | HBC | 133.1° | 116.1° |
| CBB | CAR | CAX | 121.5° | 127.5° |
| CBB | CAR | CAS | 106.9° | 105.0° |
| CAR | CBB | HBB | 109.6° | 115.8° |
| CAU | CBA | OAP | 111.8° | 120.0° |
| CBA | CAU | CBC | 125.6° | 127.7° |
| CBA | OAP | CAB | 103.7° | 117.0° |
| CAU | CBC | CAS | 123.2° | 104.5° |
| CAU | CBC | HBC | 107.4° | 116.4° |
| CBC | CAS | CAR | 103.6° | 105.0° |
| CBC | CAS | CAY | 124.8° | 127.5° |
| CAS | CBC | HBC | 108.0° | 116.3° |
| CAX | CAR | CAS | 131.4° | 127.5° |
| CAR | CAX | CAL | 120.0° | 120.1° |
| CAR | CAX | CAK | 118.8° | 120.1° |
| CAR | CAS | CAY | 131.6° | 127.5° |
| OAP | CAB | HAB1 | 109.5° | 109.5° |
| OAP | CAB | HAB2 | 109.5° | 109.5° |
| OAP | CAB | HAB3 | 109.4° | 109.5° |
| CAL | CAX | CAK | 121.1° | 119.8° |
| CAX | CAL | CAH | 118.4° | 119.9° |
| CAX | CAL | HAL | 120.8° | 120.0° |
| CAX | CAK | CAG | 120.2° | 119.9° |
| CAX | CAK | HAK | 119.9° | 120.0° |
| CAL | CAH | CAV | 120.3° | 120.1° |
| CAL | CAH | HAH | 119.9° | 119.9° |
| CAH | CAL | HAL | 120.8° | 120.0° |
| CAS | CAY | CAN | 116.8° | 120.1° |
| CAS | CAY | CAM | 123.2° | 120.1° |
| CAK | CAG | CAV | 118.6° | 120.1° |
| CAG | CAK | HAK | 119.9° | 120.0° |
| CAK | CAG | HAG | 120.7° | 120.0° |
| CAH | CAV | CAG | 121.3° | 120.2° |
| CAH | CAV | OAC | 119.9° | 119.9° |
| CAV | CAH | HAH | 119.8° | 120.0° |
| CAG | CAV | OAC | 118.8° | 119.9° |
| CAV | CAG | HAG | 120.7° | 120.0° |
| CAV | OAC | HOAC | 109.5° | 114.0° |
| CAN | CAY | CAM | 120.0° | 119.8° |
| CAY | CAN | CAJ | 121.4° | 119.8° |
| CAY | CAN | HAN | 119.3° | 120.1° |
| CAY | CAM | CAI | 119.0° | 119.9° |
| CAY | CAM | HAM | 120.5° | 120.0° |
| CAN | CAJ | CAW | 118.6° | 120.2° |
| CAN | CAJ | HAJ | 120.7° | 119.9° |
| CAJ | CAN | HAN | 119.3° | 120.1° |
| CAM | CAI | CAW | 120.1° | 120.1° |
| CAI | CAM | HAM | 120.5° | 120.0° |
| CAM | CAI | HAI | 119.9° | 119.9° |
| CAJ | CAW | CAI | 120.8° | 120.2° |
| CAJ | CAW | OAD | 119.4° | 120.0° |
| CAW | CAJ | HAJ | 120.7° | 119.9° |
| CAI | CAW | OAD | 119.7° | 119.9° |
| CAW | CAI | HAI | 119.9° | 120.0° |
| CAW | OAD | HOAD | 109.5° | 113.9° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAZ | OAO | CAT | 133.6° | 180.0° |
| OAE | CAZ | OAO | CAA | 54.2° | 0.0° |
| OAE | CAZ | CAT | CBB | 14.2° | 180.0° |
| OAE | CAZ | CAT | CAU | 171.4° | 0.0° |
| OAO | CAZ | CAT | CBB | 146.3° | 0.0° |
| OAO | CAZ | CAT | CAU | 39.3° | 180.0° |
| CAZ | OAO | CAA | HAA1 | 89.8° | 180.0° |
| CAZ | OAO | CAA | HAA2 | 30.2° | 60.0° |
| CAZ | OAO | CAA | HAA3 | 150.2° | 60.0° |
| CAT | CAZ | OAO | CAA | 79.4° | 180.0° |
| CAZ | CAT | CBB | CAU | 175.5° | 180.0° |
| CAZ | CAT | CBB | OAQ | 138.7° | 145.1° |
| CAZ | CAT | CBB | CAR | 125.5° | 110.5° |
| CAZ | CAT | CAU | CBA | 0.7° | 0.1° |
| CAZ | CAT | CAU | CBC | 175.1° | 179.6° |
| CAZ | CAT | CBB | HBB | 1.5° | 18.5° |
| OAO | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAO | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| OAO | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| CAT | CBB | OAQ | CAR | 122.7° | 107.8° |
| CAT | CBB | OAQ | HBB | 118.4° | 126.4° |
| CAT | CBB | OAQ | CBC | 60.6° | 54.0° |
| CAT | CBB | CAR | HBB | 125.5° | 129.0° |
| CBB | CAT | CAU | CBA | 174.9° | 179.9° |
| CBB | CAT | CAU | CBC | 0.4° | 0.4° |
| CAT | CBB | CAR | CAX | 123.6° | 109.7° |
| CAT | CBB | CAR | CAS | 61.3° | 70.6° |
| CAT | CAU | CBA | OAF | 13.9° | 0.1° |
| CAU | CAT | CBB | OAQ | 36.8° | 34.9° |
| CAT | CAU | CBC | OAQ | 35.3° | 34.1° |
| CAU | CAT | CBB | CAR | 59.0° | 69.5° |
| CAT | CAU | CBA | CBC | 173.5° | 179.4° |
| CAT | CAU | CBA | OAP | 143.2° | 180.0° |
| CAT | CAU | CBC | CAS | 60.8° | 69.8° |
| CAU | CAT | CBB | HBB | 174.0° | 161.5° |
| CAT | CAU | CBC | HBC | 172.9° | 160.4° |
| OAF | CBA | CAU | OAP | 129.3° | 179.9° |
| OAF | CBA | CAU | CBC | 172.5° | 179.5° |
| OAF | CBA | OAP | CAB | 44.6° | 0.1° |
| OAQ | CBB | CAR | HBB | 136.5° | 126.0° |
| CBB | OAQ | CBC | CAU | 59.0° | 53.1° |
| CBB | OAQ | CBC | CAS | 64.5° | 54.0° |
| OAQ | CBB | CAR | CAX | 138.4° | 145.3° |
| OAQ | CBB | CAR | CAS | 36.6° | 34.4° |
| CBB | OAQ | CBC | HBC | 177.2° | 179.6° |
| CBC | OAQ | CBB | CAR | 62.2° | 53.8° |
| OAQ | CBC | CAU | CBA | 139.2° | 145.4° |
| OAQ | CBC | CAU | CAS | 96.1° | 103.9° |
| OAQ | CBC | CAU | HBC | 137.5° | 126.3° |
| OAQ | CBC | CAS | HBC | 137.4° | 126.2° |
| OAQ | CBC | CAS | CAR | 38.2° | 35.0° |
| OAQ | CBC | CAS | CAY | 140.7° | 145.1° |
| CBC | OAQ | CBB | HBB | 179.0° | 179.6° |
| CBB | CAR | CAS | CBC | 1.5° | 0.4° |
| CBB | CAR | CAX | CAS | 173.6° | 179.6° |
| CBB | CAR | CAX | CAL | 64.7° | 114.7° |
| CBB | CAR | CAX | CAK | 111.4° | 64.8° |
| CBB | CAR | CAS | CAY | 177.4° | 179.8° |
| CBA | CAU | CBC | CAS | 124.7° | 110.7° |
| CAU | CBA | OAP | CAB | 173.1° | 180.0° |
| CBA | CAU | CBC | HBC | 1.7° | 19.1° |
| OAP | CBA | CAU | CBC | 43.3° | 0.6° |
| CBA | OAP | CAB | HAB1 | 20.1° | 180.0° |
| CBA | OAP | CAB | HAB2 | 140.1° | 60.0° |
| CBA | OAP | CAB | HAB3 | 99.9° | 60.0° |
| CAU | CBC | CAS | HBC | 126.1° | 129.9° |
| CAU | CBC | CAS | CAR | 58.2° | 68.9° |
| CAU | CBC | CAS | CAY | 122.8° | 110.9° |
| CBC | CAS | CAR | CAX | 175.8° | 179.9° |
| CBC | CAS | CAR | CAY | 178.8° | 179.9° |
| CBC | CAS | CAY | CAN | 23.5° | 114.9° |
| CBC | CAS | CAY | CAM | 157.0° | 65.5° |
| CAR | CAX | CAL | CAK | 176.0° | 179.5° |
| CAR | CAX | CAL | CAH | 177.9° | 180.0° |
| CAX | CAR | CAS | CAY | 3.0° | 0.1° |
| CAR | CAX | CAK | CAG | 177.5° | 180.0° |
| CAR | CAX | CAK | HAK | 2.5° | 0.3° |
| CAR | CAX | CAL | HAL | 2.1° | 0.2° |
| CAX | CAR | CBB | HBB | 1.9° | 19.3° |
| CAS | CAR | CAX | CAL | 121.7° | 64.9° |
| CAS | CAR | CAX | CAK | 62.2° | 115.6° |
| CAR | CAS | CAY | CAN | 155.1° | 65.0° |
| CAR | CAS | CAY | CAM | 24.3° | 114.7° |
| CAS | CAR | CBB | HBB | 173.1° | 160.4° |
| CAR | CAS | CBC | HBC | 175.7° | 161.2° |
| OAP | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| OAP | CAB | HAB1 | HAB3 | 119.9° | 120.0° |
| OAP | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| CAX | CAL | CAH | HAL | 180.0° | 179.8° |
| CAL | CAX | CAK | CAG | 1.5° | 0.5° |
| CAX | CAL | CAH | CAV | 1.1° | 0.2° |
| CAL | CAX | CAK | HAK | 178.5° | 179.8° |
| CAX | CAL | CAH | HAH | 178.9° | 179.7° |
| CAK | CAX | CAL | CAH | 1.9° | 0.5° |
| CAX | CAK | CAG | HAK | 180.0° | 179.7° |
| CAX | CAK | CAG | CAV | 0.1° | 0.3° |
| CAX | CAK | CAG | HAG | 179.9° | 179.8° |
| CAK | CAX | CAL | HAL | 178.1° | 179.7° |
| CAL | CAH | CAV | HAH | 180.0° | 179.9° |
| CAL | CAH | CAV | CAG | 0.2° | 0.1° |
| CAL | CAH | CAV | OAC | 180.0° | 180.0° |
| CAS | CAY | CAN | CAM | 179.5° | 179.7° |
| CAS | CAY | CAN | CAJ | 179.4° | 179.7° |
| CAS | CAY | CAM | CAI | 179.8° | 180.0° |
| CAY | CAS | CBC | HBC | 3.3° | 18.9° |
| CAS | CAY | CAM | HAM | 0.3° | 0.0° |
| CAS | CAY | CAN | HAN | 0.6° | 0.0° |
| CAK | CAG | CAV | CAH | 0.7° | 0.1° |
| CAK | CAG | CAV | HAG | 180.0° | 179.9° |
| CAK | CAG | CAV | OAC | 179.5° | 180.0° |
| CAH | CAV | CAG | OAC | 179.8° | 179.9° |
| CAH | CAV | CAG | HAG | 179.3° | 180.0° |
| CAH | CAV | OAC | HOAC | 109.1° | 90.0° |
| CAV | CAH | CAL | HAL | 178.9° | 179.9° |
| CAV | CAG | CAK | HAK | 179.9° | 180.0° |
| CAG | CAV | OAC | HOAC | 71.2° | 89.9° |
| CAG | CAV | CAH | HAH | 179.8° | 179.9° |
| OAC | CAV | CAG | HAG | 0.5° | 0.1° |
| OAC | CAV | CAH | HAH | 0.0° | 0.0° |
| CAY | CAN | CAJ | HAN | 180.0° | 179.7° |
| CAN | CAY | CAM | CAI | 0.3° | 0.3° |
| CAY | CAN | CAJ | CAW | 0.8° | 0.6° |
| CAN | CAY | CAM | HAM | 179.7° | 179.7° |
| CAY | CAN | CAJ | HAJ | 179.1° | 179.7° |
| CAM | CAY | CAN | CAJ | 0.0° | 0.6° |
| CAY | CAM | CAI | HAM | 180.0° | 180.0° |
| CAY | CAM | CAI | CAW | 0.2° | 0.1° |
| CAY | CAM | CAI | HAI | 179.8° | 180.0° |
| CAM | CAY | CAN | HAN | 180.0° | 179.7° |
| CAN | CAJ | CAW | HAJ | 180.0° | 179.7° |
| CAN | CAJ | CAW | CAI | 1.3° | 0.4° |
| CAN | CAJ | CAW | OAD | 179.8° | 179.7° |
| CAM | CAI | CAW | CAJ | 1.0° | 0.1° |
| CAM | CAI | CAW | HAI | 180.0° | 180.0° |
| CAM | CAI | CAW | OAD | 179.9° | 180.0° |
| CAJ | CAW | CAI | OAD | 178.9° | 179.9° |
| CAJ | CAW | CAI | HAI | 179.0° | 179.9° |
| CAJ | CAW | OAD | HOAD | 12.1° | 90.0° |
| CAW | CAJ | CAN | HAN | 179.1° | 179.7° |
| CAW | CAI | CAM | HAM | 179.8° | 180.0° |
| CAI | CAW | OAD | HOAD | 166.7° | 90.1° |
| CAI | CAW | CAJ | HAJ | 178.7° | 180.0° |
| OAD | CAW | CAI | HAI | 0.1° | 0.0° |
| OAD | CAW | CAJ | HAJ | 0.2° | 0.1° |
| HAK | CAK | CAG | HAG | 0.1° | 0.1° |
| HAH | CAH | CAL | HAL | 1.1° | 0.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAM | CAM | CAI | HAI | 0.2° | 0.0° |
| HAJ | CAJ | CAN | HAN | 0.9° | 0.0° |
