ZZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAR | sing | 1.51Å | 1.53Å | |
| CAR | CAY | sing | 1.53Å | 1.53Å | |
| CAY | CAT | sing | 1.51Å | 1.53Å | |
| CAY | OAS | sing | 1.43Å | 1.44Å | |
| CAT | OAB | sing | 1.34Å | 1.25Å | |
| CAT | OAA | doub | 1.21Å | 1.25Å | |
| OAS | CAX | sing | 1.36Å | 1.36Å | |
| CAX | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAQ | sing | 1.51Å | 1.45Å | |
| CAQ | CAU | sing | 1.51Å | 1.47Å | |
| CAU | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAK | CAW | 119.7° | 120.0° |
| CAK | CAG | CAD | 120.1° | 120.1° |
| CAG | CAK | HAK | 120.1° | 120.0° |
| CAK | CAG | HAG | 120.0° | 120.0° |
| CAK | CAW | CAL | 120.2° | 120.0° |
| CAK | CAW | CAR | 120.4° | 120.0° |
| CAW | CAK | HAK | 120.2° | 120.0° |
| CAG | CAD | CAH | 120.2° | 119.9° |
| CAD | CAG | HAG | 119.9° | 119.9° |
| CAG | CAD | HAD | 119.9° | 120.0° |
| CAD | CAH | CAL | 119.6° | 120.0° |
| CAH | CAD | HAD | 119.9° | 120.0° |
| CAD | CAH | HAH | 120.2° | 120.0° |
| CAH | CAL | CAW | 120.1° | 120.0° |
| CAL | CAH | HAH | 120.2° | 120.0° |
| CAH | CAL | HAL | 119.9° | 120.1° |
| CAL | CAW | CAR | 119.3° | 120.0° |
| CAW | CAL | HAL | 120.0° | 119.9° |
| CAW | CAR | CAY | 111.9° | 109.4° |
| CAW | CAR | HAR | 108.7° | 109.5° |
| CAW | CAR | HARA | 108.1° | 109.4° |
| CAR | CAY | CAT | 105.7° | 109.4° |
| CAR | CAY | OAS | 108.4° | 109.5° |
| CAY | CAR | HAR | 108.7° | 109.5° |
| CAY | CAR | HARA | 108.1° | 109.4° |
| CAR | CAY | HAY | 113.8° | 109.4° |
| CAT | CAY | OAS | 112.7° | 109.5° |
| CAY | CAT | OAB | 116.8° | 120.0° |
| CAY | CAT | OAA | 119.0° | 120.0° |
| CAT | CAY | HAY | 109.5° | 109.5° |
| CAY | OAS | CAX | 116.4° | 117.0° |
| OAS | CAY | HAY | 106.8° | 109.5° |
| OAB | CAT | OAA | 124.2° | 120.0° |
| CAT | OAB | HOAB | 109.5° | 117.0° |
| OAS | CAX | CAP | 117.8° | 120.1° |
| OAS | CAX | CAO | 122.8° | 120.0° |
| CAP | CAX | CAO | 119.4° | 119.9° |
| CAX | CAP | CAN | 120.9° | 120.0° |
| CAX | CAP | HAP | 119.5° | 120.1° |
| CAX | CAO | CAM | 119.8° | 119.9° |
| CAX | CAO | HAO | 120.1° | 120.0° |
| CAP | CAN | CAV | 119.6° | 120.0° |
| CAN | CAP | HAP | 119.6° | 120.0° |
| CAP | CAN | HAN | 120.2° | 120.0° |
| CAN | CAV | CAM | 119.6° | 120.1° |
| CAN | CAV | CAQ | 119.3° | 119.9° |
| CAV | CAN | HAN | 120.2° | 119.9° |
| CAO | CAM | CAV | 120.6° | 120.1° |
| CAM | CAO | HAO | 120.1° | 120.0° |
| CAO | CAM | HAM | 119.7° | 120.0° |
| CAM | CAV | CAQ | 121.1° | 120.0° |
| CAV | CAM | HAM | 119.7° | 120.0° |
| CAV | CAQ | CAU | 120.7° | 109.5° |
| CAV | CAQ | HAQ | 105.9° | 109.5° |
| CAV | CAQ | HAQA | 103.3° | 109.5° |
| CAQ | CAU | CAI | 115.6° | 120.0° |
| CAQ | CAU | CAJ | 124.9° | 120.0° |
| CAU | CAQ | HAQ | 105.9° | 109.4° |
| CAU | CAQ | HAQA | 103.3° | 109.5° |
| CAI | CAU | CAJ | 119.5° | 120.0° |
| CAU | CAI | CAE | 119.8° | 120.0° |
| CAU | CAI | HAI | 120.1° | 120.0° |
| CAU | CAJ | CAF | 120.9° | 120.0° |
| CAU | CAJ | HAJ | 119.5° | 120.0° |
| CAI | CAE | CAC | 120.5° | 120.0° |
| CAE | CAI | HAI | 120.1° | 119.9° |
| CAI | CAE | HAE | 119.8° | 120.0° |
| CAE | CAC | CAF | 119.7° | 120.0° |
| CAC | CAE | HAE | 119.7° | 120.0° |
| CAE | CAC | HAC | 120.1° | 119.9° |
| CAC | CAF | CAJ | 119.6° | 120.0° |
| CAF | CAC | HAC | 120.1° | 120.1° |
| CAC | CAF | HAF | 120.2° | 120.0° |
| CAJ | CAF | HAF | 120.2° | 120.0° |
| CAF | CAJ | HAJ | 119.6° | 120.0° |
| HAR | CAR | HARA | 111.4° | 109.5° |
| HAQ | CAQ | HAQA | 118.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAK | CAW | HAK | 180.0° | 179.7° |
| CAK | CAG | CAD | HAG | 180.0° | 179.9° |
| CAK | CAG | CAD | CAH | 0.0° | 0.1° |
| CAG | CAK | CAW | CAL | 0.1° | 0.1° |
| CAG | CAK | CAW | CAR | 179.1° | 180.0° |
| CAK | CAG | CAD | HAD | 180.0° | 180.0° |
| CAW | CAK | CAG | CAD | 0.0° | 0.1° |
| CAK | CAW | CAL | CAH | 0.1° | 0.1° |
| CAK | CAW | CAL | CAR | 179.0° | 179.9° |
| CAK | CAW | CAR | CAY | 71.7° | 90.0° |
| CAW | CAK | CAG | HAG | 179.9° | 180.0° |
| CAK | CAW | CAL | HAL | 179.9° | 180.0° |
| CAK | CAW | CAR | HAR | 168.3° | 150.0° |
| CAK | CAW | CAR | HARA | 47.3° | 30.0° |
| CAG | CAD | CAH | HAD | 180.0° | 179.9° |
| CAG | CAD | CAH | CAL | 0.1° | 0.1° |
| CAD | CAG | CAK | HAK | 180.0° | 179.7° |
| CAG | CAD | CAH | HAH | 180.0° | 179.9° |
| CAD | CAH | CAL | HAH | 180.0° | 180.0° |
| CAD | CAH | CAL | CAW | 0.0° | 0.1° |
| CAH | CAD | CAG | HAG | 180.0° | 180.0° |
| CAD | CAH | CAL | HAL | 180.0° | 180.0° |
| CAH | CAL | CAW | HAL | 180.0° | 180.0° |
| CAH | CAL | CAW | CAR | 179.1° | 180.0° |
| CAL | CAH | CAD | HAD | 179.9° | 179.9° |
| CAL | CAW | CAR | CAY | 109.3° | 90.1° |
| CAL | CAW | CAK | HAK | 179.9° | 179.7° |
| CAW | CAL | CAH | HAH | 180.0° | 179.9° |
| CAL | CAW | CAR | HAR | 10.7° | 29.9° |
| CAL | CAW | CAR | HARA | 131.7° | 150.0° |
| CAW | CAR | CAY | HAR | 120.0° | 120.0° |
| CAW | CAR | CAY | HARA | 119.0° | 119.9° |
| CAW | CAR | CAY | CAT | 167.6° | 175.0° |
| CAW | CAR | CAY | OAS | 46.5° | 65.0° |
| CAR | CAW | CAK | HAK | 1.0° | 0.3° |
| CAR | CAW | CAL | HAL | 1.0° | 0.0° |
| CAW | CAR | HAR | HARA | 119.0° | 120.0° |
| CAW | CAR | CAY | HAY | 72.2° | 55.0° |
| CAR | CAY | CAT | OAS | 118.2° | 120.0° |
| CAR | CAY | CAT | HAY | 122.9° | 119.9° |
| CAR | CAY | OAS | HAY | 123.0° | 120.0° |
| CAR | CAY | CAT | OAB | 71.6° | 65.0° |
| CAR | CAY | CAT | OAA | 107.8° | 115.1° |
| CAR | CAY | OAS | CAX | 174.4° | 155.6° |
| CAY | CAR | HAR | HARA | 119.0° | 120.0° |
| CAT | CAY | OAS | HAY | 120.4° | 120.1° |
| CAY | CAT | OAB | OAA | 179.3° | 179.9° |
| CAT | CAY | OAS | CAX | 57.8° | 84.5° |
| CAT | CAY | CAR | HAR | 72.4° | 55.0° |
| CAT | CAY | CAR | HARA | 48.7° | 65.0° |
| CAY | CAT | OAB | HOAB | 179.3° | 179.9° |
| OAS | CAY | CAT | OAB | 170.2° | 175.0° |
| OAS | CAY | CAT | OAA | 10.5° | 4.9° |
| CAY | OAS | CAX | CAP | 156.6° | 174.7° |
| CAY | OAS | CAX | CAO | 25.3° | 5.2° |
| OAS | CAY | CAR | HAR | 166.5° | 175.0° |
| OAS | CAY | CAR | HARA | 72.4° | 55.0° |
| OAB | CAT | CAY | HAY | 51.3° | 54.9° |
| OAA | CAT | CAY | HAY | 129.3° | 125.0° |
| OAA | CAT | OAB | HOAB | 0.0° | 0.0° |
| OAS | CAX | CAP | CAO | 178.2° | 179.8° |
| OAS | CAX | CAP | CAN | 178.7° | 180.0° |
| OAS | CAX | CAO | CAM | 178.7° | 180.0° |
| CAX | OAS | CAY | HAY | 62.6° | 35.6° |
| OAS | CAX | CAP | HAP | 1.3° | 0.1° |
| OAS | CAX | CAO | HAO | 1.3° | 0.1° |
| CAX | CAP | CAN | HAP | 180.0° | 179.9° |
| CAX | CAP | CAN | CAV | 0.3° | 0.1° |
| CAP | CAX | CAO | CAM | 0.6° | 0.2° |
| CAX | CAP | CAN | HAN | 179.7° | 179.9° |
| CAP | CAX | CAO | HAO | 179.4° | 179.7° |
| CAO | CAX | CAP | CAN | 0.5° | 0.2° |
| CAX | CAO | CAM | HAO | 180.0° | 179.9° |
| CAX | CAO | CAM | CAV | 0.2° | 0.0° |
| CAO | CAX | CAP | HAP | 179.5° | 179.8° |
| CAX | CAO | CAM | HAM | 179.9° | 179.9° |
| CAP | CAN | CAV | HAN | 180.0° | 180.0° |
| CAP | CAN | CAV | CAM | 1.0° | 0.3° |
| CAP | CAN | CAV | CAQ | 179.6° | 180.0° |
| CAN | CAV | CAM | CAO | 1.0° | 0.3° |
| CAN | CAV | CAM | CAQ | 178.6° | 179.7° |
| CAN | CAV | CAQ | CAU | 143.3° | 90.0° |
| CAV | CAN | CAP | HAP | 179.7° | 180.0° |
| CAN | CAV | CAM | HAM | 179.1° | 179.7° |
| CAN | CAV | CAQ | HAQ | 96.7° | 150.0° |
| CAN | CAV | CAQ | HAQA | 28.8° | 30.1° |
| CAO | CAM | CAV | HAM | 180.0° | 180.0° |
| CAO | CAM | CAV | CAQ | 179.5° | 180.0° |
| CAM | CAV | CAQ | CAU | 35.3° | 89.7° |
| CAM | CAV | CAN | HAN | 179.0° | 179.7° |
| CAV | CAM | CAO | HAO | 179.9° | 180.0° |
| CAM | CAV | CAQ | HAQ | 84.7° | 30.3° |
| CAM | CAV | CAQ | HAQA | 149.8° | 150.2° |
| CAV | CAQ | CAU | HAQ | 120.0° | 120.0° |
| CAV | CAQ | CAU | HAQA | 114.5° | 120.1° |
| CAV | CAQ | CAU | CAI | 78.1° | 90.0° |
| CAV | CAQ | CAU | CAJ | 102.0° | 90.3° |
| CAQ | CAV | CAN | HAN | 0.4° | 0.0° |
| CAQ | CAV | CAM | HAM | 0.5° | 0.0° |
| CAV | CAQ | HAQ | HAQA | 115.4° | 120.0° |
| CAQ | CAU | CAI | CAJ | 179.9° | 179.7° |
| CAQ | CAU | CAI | CAE | 179.7° | 180.0° |
| CAQ | CAU | CAJ | CAF | 179.5° | 179.8° |
| CAU | CAQ | HAQ | HAQA | 115.4° | 120.0° |
| CAQ | CAU | CAI | HAI | 0.3° | 0.0° |
| CAQ | CAU | CAJ | HAJ | 0.5° | 0.0° |
| CAU | CAI | CAE | HAI | 180.0° | 180.0° |
| CAU | CAI | CAE | CAC | 0.1° | 0.0° |
| CAI | CAU | CAJ | CAF | 0.4° | 0.5° |
| CAI | CAU | CAQ | HAQ | 161.9° | 30.0° |
| CAI | CAU | CAQ | HAQA | 36.4° | 150.0° |
| CAU | CAI | CAE | HAE | 179.9° | 179.9° |
| CAI | CAU | CAJ | HAJ | 179.6° | 179.7° |
| CAJ | CAU | CAI | CAE | 0.2° | 0.3° |
| CAU | CAJ | CAF | CAC | 0.3° | 0.5° |
| CAU | CAJ | CAF | HAJ | 180.0° | 179.8° |
| CAJ | CAU | CAQ | HAQ | 18.0° | 149.7° |
| CAJ | CAU | CAQ | HAQA | 143.5° | 29.8° |
| CAJ | CAU | CAI | HAI | 179.8° | 179.7° |
| CAU | CAJ | CAF | HAF | 179.7° | 179.8° |
| CAI | CAE | CAC | HAE | 180.0° | 179.9° |
| CAI | CAE | CAC | CAF | 0.2° | 0.0° |
| CAI | CAE | CAC | HAC | 179.8° | 179.9° |
| CAE | CAC | CAF | HAC | 180.0° | 179.9° |
| CAE | CAC | CAF | CAJ | 0.0° | 0.2° |
| CAC | CAE | CAI | HAI | 179.9° | 180.0° |
| CAE | CAC | CAF | HAF | 180.0° | 180.0° |
| CAC | CAF | CAJ | HAF | 180.0° | 179.8° |
| CAF | CAC | CAE | HAE | 179.8° | 180.0° |
| CAC | CAF | CAJ | HAJ | 179.7° | 179.7° |
| CAJ | CAF | CAC | HAC | 180.0° | 179.8° |
| HAK | CAK | CAG | HAG | 0.0° | 0.2° |
| HAG | CAG | CAD | HAD | 0.0° | 0.2° |
| HAD | CAD | CAH | HAH | 0.0° | 0.0° |
| HAH | CAH | CAL | HAL | 0.0° | 0.0° |
| HAR | CAR | CAY | HAY | 47.8° | 65.0° |
| HARA | CAR | CAY | HAY | 168.9° | 175.0° |
| HAP | CAP | CAN | HAN | 0.3° | 0.0° |
| HAO | CAO | CAM | HAM | 0.1° | 0.0° |
| HAI | CAI | CAE | HAE | 0.1° | 0.1° |
| HAE | CAE | CAC | HAC | 0.2° | 0.0° |
| HAC | CAC | CAF | HAF | 0.0° | 0.1° |
| HAF | CAF | CAJ | HAJ | 0.3° | 0.0° |
