DZ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAG | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | FAC | sing | 1.35Å | 1.34Å | |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAS | NAN | sing | 1.40Å | 1.34Å | |
| NAN | CAQ | sing | 1.35Å | 1.35Å | |
| NAN | HNAN | sing | 0.97Å | 1.00Å | |
| CAQ | OAB | doub | 1.22Å | 1.23Å | |
| CAQ | CAW | sing | 1.42Å | 1.54Å | |
| CAW | CAT | doub | 1.36Å | 1.39Å | Aromatic |
| CAW | SAP | sing | 1.75Å | 1.69Å | Aromatic |
| NAA | CAT | sing | 1.39Å | 1.33Å | |
| CAT | CAX | sing | 1.45Å | 1.41Å | Aromatic |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| SAP | CAY | sing | 1.76Å | 1.71Å | Aromatic |
| CAX | CAY | doub | 1.40Å | 1.41Å | Aromatic |
| CAY | NAM | sing | 1.34Å | 1.35Å | Aromatic |
| NAM | CAU | doub | 1.32Å | 1.35Å | Aromatic |
| CAX | CAK | sing | 1.42Å | 1.39Å | Aromatic |
| CAK | CAJ | doub | 1.36Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAU | CAV | sing | 1.48Å | 1.40Å | Aromatic |
| CAI | CAV | doub | 1.35Å | 1.34Å | Aromatic |
| CAV | SAO | sing | 1.76Å | 1.69Å | Aromatic |
| CAI | CAD | sing | 1.38Å | 1.36Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAD | CAF | doub | 1.34Å | 1.34Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| SAO | CAF | sing | 1.76Å | 1.69Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAL | CAS | 120.1° | 119.9° |
| CAR | CAL | HAL | 120.0° | 120.0° |
| CAL | CAR | CAG | 120.6° | 120.0° |
| CAL | CAR | FAC | 120.1° | 120.0° |
| CAS | CAL | HAL | 119.9° | 120.0° |
| CAL | CAS | CAH | 118.9° | 119.8° |
| CAL | CAS | NAN | 123.3° | 120.1° |
| CAG | CAR | FAC | 119.3° | 120.0° |
| CAR | CAG | CAE | 119.7° | 120.1° |
| CAR | CAG | HAG | 120.2° | 119.9° |
| CAE | CAG | HAG | 120.2° | 120.0° |
| CAG | CAE | CAH | 119.7° | 120.1° |
| CAG | CAE | HAE | 120.2° | 119.9° |
| CAH | CAE | HAE | 120.1° | 120.0° |
| CAE | CAH | CAS | 121.0° | 120.0° |
| CAE | CAH | HAH | 119.5° | 120.0° |
| CAS | CAH | HAH | 119.5° | 120.0° |
| CAH | CAS | NAN | 117.8° | 120.1° |
| CAS | NAN | CAQ | 128.0° | 120.0° |
| CAS | NAN | HNAN | 116.0° | 120.0° |
| CAQ | NAN | HNAN | 116.0° | 120.0° |
| NAN | CAQ | OAB | 125.9° | 120.0° |
| NAN | CAQ | CAW | 114.1° | 120.0° |
| OAB | CAQ | CAW | 120.0° | 120.0° |
| CAQ | CAW | CAT | 126.2° | 124.5° |
| CAQ | CAW | SAP | 126.3° | 124.5° |
| CAT | CAW | SAP | 107.5° | 111.0° |
| CAW | CAT | NAA | 122.5° | 123.0° |
| CAW | CAT | CAX | 114.8° | 114.1° |
| CAW | SAP | CAY | 97.5° | 92.5° |
| NAA | CAT | CAX | 122.7° | 122.9° |
| CAT | NAA | HNAA | 109.5° | 120.1° |
| CAT | NAA | HNAB | 109.5° | 120.0° |
| CAT | CAX | CAY | 113.0° | 112.2° |
| CAT | CAX | CAK | 129.2° | 129.2° |
| HNAA | NAA | HNAB | 109.5° | 119.9° |
| SAP | CAY | CAX | 107.2° | 110.1° |
| SAP | CAY | NAM | 131.6° | 129.8° |
| CAX | CAY | NAM | 121.2° | 120.1° |
| CAY | CAX | CAK | 117.8° | 118.6° |
| CAY | NAM | CAU | 121.5° | 121.9° |
| NAM | CAU | CAJ | 119.7° | 120.8° |
| NAM | CAU | CAV | 120.5° | 119.6° |
| CAX | CAK | CAJ | 120.0° | 119.1° |
| CAX | CAK | HAK | 120.0° | 120.4° |
| CAJ | CAK | HAK | 120.0° | 120.5° |
| CAK | CAJ | CAU | 119.9° | 119.5° |
| CAK | CAJ | HAJ | 120.1° | 120.3° |
| CAU | CAJ | HAJ | 120.1° | 120.2° |
| CAJ | CAU | CAV | 119.8° | 119.6° |
| CAU | CAV | CAI | 130.0° | 125.3° |
| CAU | CAV | SAO | 123.7° | 125.3° |
| CAI | CAV | SAO | 106.2° | 109.5° |
| CAV | CAI | CAD | 114.8° | 114.7° |
| CAV | CAI | HAI | 122.6° | 122.7° |
| CAV | SAO | CAF | 96.7° | 91.0° |
| CAD | CAI | HAI | 122.6° | 122.6° |
| CAI | CAD | CAF | 117.0° | 115.1° |
| CAI | CAD | HAD | 121.5° | 122.5° |
| CAF | CAD | HAD | 121.5° | 122.4° |
| CAD | CAF | SAO | 105.2° | 109.8° |
| CAD | CAF | HAF | 127.4° | 125.1° |
| SAO | CAF | HAF | 127.4° | 125.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAL | CAS | HAL | 180.0° | 179.7° |
| CAL | CAR | CAG | FAC | 179.8° | 179.9° |
| CAL | CAR | CAG | CAE | 0.2° | 0.0° |
| CAL | CAR | CAG | HAG | 179.8° | 180.0° |
| CAR | CAL | CAS | CAH | 0.7° | 0.5° |
| CAR | CAL | CAS | NAN | 178.8° | 180.0° |
| CAS | CAL | CAR | CAG | 0.2° | 0.2° |
| CAS | CAL | CAR | FAC | 179.5° | 179.7° |
| CAL | CAS | CAH | CAE | 0.8° | 0.6° |
| CAL | CAS | CAH | NAN | 178.1° | 179.4° |
| CAL | CAS | CAH | HAH | 179.2° | 179.7° |
| CAL | CAS | NAN | CAQ | 10.7° | 35.6° |
| CAL | CAS | NAN | HNAN | 169.3° | 144.5° |
| HAL | CAL | CAR | CAG | 179.8° | 180.0° |
| HAL | CAL | CAR | FAC | 0.5° | 0.1° |
| HAL | CAL | CAS | CAH | 179.2° | 179.7° |
| HAL | CAL | CAS | NAN | 1.2° | 0.3° |
| CAR | CAG | CAE | HAG | 180.0° | 180.0° |
| CAR | CAG | CAE | CAH | 0.1° | 0.0° |
| CAR | CAG | CAE | HAE | 179.9° | 180.0° |
| FAC | CAR | CAG | CAE | 180.0° | 180.0° |
| FAC | CAR | CAG | HAG | 0.0° | 0.1° |
| CAG | CAE | CAH | HAE | 180.0° | 180.0° |
| CAG | CAE | CAH | CAS | 0.4° | 0.3° |
| CAG | CAE | CAH | HAH | 179.6° | 180.0° |
| HAG | CAG | CAE | CAH | 179.9° | 180.0° |
| HAG | CAG | CAE | HAE | 0.1° | 0.0° |
| CAE | CAH | CAS | HAH | 180.0° | 179.7° |
| CAE | CAH | CAS | NAN | 179.0° | 180.0° |
| HAE | CAE | CAH | CAS | 179.6° | 179.7° |
| HAE | CAE | CAH | HAH | 0.4° | 0.0° |
| CAH | CAS | NAN | CAQ | 167.4° | 144.9° |
| CAH | CAS | NAN | HNAN | 12.7° | 35.0° |
| HAH | CAH | CAS | NAN | 1.1° | 0.3° |
| CAS | NAN | CAQ | HNAN | 180.0° | 179.9° |
| CAS | NAN | CAQ | OAB | 1.4° | 4.6° |
| CAS | NAN | CAQ | CAW | 178.3° | 175.3° |
| NAN | CAQ | OAB | CAW | 179.7° | 179.9° |
| NAN | CAQ | CAW | CAT | 163.8° | 180.0° |
| NAN | CAQ | CAW | SAP | 14.7° | 0.3° |
| HNAN | NAN | CAQ | OAB | 178.6° | 175.4° |
| HNAN | NAN | CAQ | CAW | 1.7° | 4.6° |
| OAB | CAQ | CAW | CAT | 15.9° | 0.1° |
| OAB | CAQ | CAW | SAP | 165.6° | 179.7° |
| CAQ | CAW | CAT | SAP | 178.7° | 179.7° |
| CAQ | CAW | CAT | NAA | 1.2° | 0.0° |
| CAQ | CAW | CAT | CAX | 179.1° | 179.9° |
| CAQ | CAW | SAP | CAY | 179.1° | 179.9° |
| CAW | CAT | NAA | CAX | 179.6° | 179.9° |
| CAW | CAT | NAA | HNAA | 84.5° | 0.0° |
| CAW | CAT | NAA | HNAB | 155.5° | 180.0° |
| CAT | CAW | SAP | CAY | 0.4° | 0.3° |
| CAW | CAT | CAX | CAY | 0.2° | 0.1° |
| CAW | CAT | CAX | CAK | 179.4° | 180.0° |
| SAP | CAW | CAT | NAA | 179.9° | 179.7° |
| SAP | CAW | CAT | CAX | 0.4° | 0.2° |
| CAW | SAP | CAY | CAX | 0.3° | 0.2° |
| CAW | SAP | CAY | NAM | 179.7° | 179.9° |
| CAT | NAA | HNAA | HNAB | 120.0° | 180.0° |
| NAA | CAT | CAX | CAY | 179.8° | 179.8° |
| NAA | CAT | CAX | CAK | 0.2° | 0.1° |
| CAX | CAT | NAA | HNAA | 95.9° | 180.0° |
| CAX | CAT | NAA | HNAB | 24.1° | 0.0° |
| CAT | CAX | CAY | SAP | 0.1° | 0.1° |
| CAT | CAX | CAY | CAK | 179.6° | 180.0° |
| CAT | CAX | CAY | NAM | 179.9° | 180.0° |
| CAT | CAX | CAK | CAJ | 179.8° | 180.0° |
| CAT | CAX | CAK | HAK | 0.2° | 0.1° |
| SAP | CAY | CAX | NAM | 180.0° | 179.9° |
| SAP | CAY | NAM | CAU | 179.6° | 179.9° |
| SAP | CAY | CAX | CAK | 179.8° | 179.8° |
| CAX | CAY | NAM | CAU | 0.4° | 0.2° |
| CAY | CAX | CAK | CAJ | 0.3° | 0.1° |
| CAY | CAX | CAK | HAK | 179.7° | 179.9° |
| NAM | CAY | CAX | CAK | 0.2° | 0.1° |
| CAY | NAM | CAU | CAJ | 1.0° | 0.4° |
| CAY | NAM | CAU | CAV | 178.5° | 180.0° |
| NAM | CAU | CAJ | CAK | 0.9° | 0.4° |
| NAM | CAU | CAJ | CAV | 177.6° | 179.5° |
| NAM | CAU | CAJ | HAJ | 179.1° | 179.7° |
| NAM | CAU | CAV | CAI | 163.1° | 0.3° |
| NAM | CAU | CAV | SAO | 20.3° | 180.0° |
| CAX | CAK | CAJ | HAK | 180.0° | 180.0° |
| CAX | CAK | CAJ | CAU | 0.3° | 0.1° |
| CAX | CAK | CAJ | HAJ | 179.7° | 180.0° |
| CAK | CAJ | CAU | HAJ | 180.0° | 179.9° |
| CAK | CAJ | CAU | CAV | 178.5° | 179.9° |
| HAK | CAK | CAJ | CAU | 179.7° | 179.9° |
| HAK | CAK | CAJ | HAJ | 0.3° | 0.0° |
| CAJ | CAU | CAV | CAI | 19.3° | 179.9° |
| CAJ | CAU | CAV | SAO | 157.3° | 0.5° |
| HAJ | CAJ | CAU | CAV | 1.5° | 0.2° |
| CAU | CAV | CAI | SAO | 177.1° | 179.7° |
| CAU | CAV | CAI | CAD | 178.6° | 180.0° |
| CAU | CAV | CAI | HAI | 1.4° | 0.1° |
| CAU | CAV | SAO | CAF | 178.7° | 180.0° |
| CAV | CAI | CAD | HAI | 180.0° | 179.9° |
| CAV | CAI | CAD | CAF | 1.0° | 0.0° |
| CAV | CAI | CAD | HAD | 179.0° | 179.9° |
| CAI | CAV | SAO | CAF | 1.4° | 0.3° |
| SAO | CAV | CAI | CAD | 1.6° | 0.2° |
| SAO | CAV | CAI | HAI | 178.4° | 179.8° |
| CAV | SAO | CAF | CAD | 0.9° | 0.3° |
| CAV | SAO | CAF | HAF | 179.1° | 180.0° |
| CAI | CAD | CAF | HAD | 180.0° | 179.9° |
| CAI | CAD | CAF | SAO | 0.1° | 0.3° |
| CAI | CAD | CAF | HAF | 179.9° | 180.0° |
| HAI | CAI | CAD | CAF | 179.0° | 179.9° |
| HAI | CAI | CAD | HAD | 1.0° | 0.0° |
| CAD | CAF | SAO | HAF | 180.0° | 179.7° |
| HAD | CAD | CAF | SAO | 179.9° | 179.8° |
| HAD | CAD | CAF | HAF | 0.1° | 0.1° |
